On the Use of Symmetry-Adapted Crystalline Orbitals in SCF-LCAO Periodic Calculations. I. T

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七大晶系单词

七大晶系单词1. 立方晶系（Cubic system）- 单词释义：晶体学中的一种晶系，其特点是具有等长的晶轴且相互垂直，晶胞形状为立方体。

- 单词用法：“This crystal belongs to the cubic system.”（这块晶体属于立方晶系。

）- 近义词：无非常确切的近义词，但可勉强认为正立方晶系（Regular cubic system）与之相近。

- 短语搭配：cubic system crystal（立方晶系晶体）- 双语例句：- I was so amazed when I first saw a crystal of the cubic system. It was like looking at a perfect little cube made by nature. “Look at this!” I said to my friend. “Isn't it just like a tiny building block?”（当我第一次看到立方晶系的晶体时，我太惊讶了。

就好像在看大自然制造的完美小立方体。

“看这个！”我对我的朋友说。

“这难道不就像一个小小的积木吗？）- The cubic system is often studied in materials science. Scientists are always eager to find out more about it. “You know,” my teacher said, “the cubic system can hold so many secrets.”（立方晶系在材料科学中经常被研究。

科学家们总是渴望更多地了解它。

“你知道，”我的老师说，“立方晶系能蕴含很多秘密。

）2. 四方晶系（Tetragonal system）- 单词释义：晶系的一种，有三根晶轴，其中两根等长且相互垂直，第三根垂直于前两根，长度可不同。

陈家祠的英语作文

陈家祠的英语作文The Ancestral Hall of the Chen FamilyThe Chen family ancestral hall, located in the heart of the historic city of Guangzhou, China, stands as a testament to the enduring legacy of one of the country's most prominent families. This magnificent structure, dating back to the 18th century, serves as a revered gathering place for the descendants of the Chen clan, a family that has played a pivotal role in shaping the cultural and economic landscape of the region.As I step through the ornate entrance, I am immediately struck by the grandeur of the architecture. The intricate carvings adorning the walls and the intricate designs of the roofs are a testament to the skilled craftsmanship of the artisans who constructed this masterpiece. The symmetry of the building, with its perfectly aligned columns and harmonious proportions, creates a sense of balance and harmony that is truly captivating.As I wander through the various halls and courtyards, I am transported back in time, immersed in the rich history that permeates every inch of this place. The ancestral tablets, carefullypreserved and revered, serve as a tangible link to the generations of Chens who have walked these halls before me. The stories they hold, of triumphs and tribulations, of successes and failures, are woven into the very fabric of the building, a living testament to the enduring strength and resilience of this remarkable family.One of the most striking features of the Chen family ancestral hall is the attention to detail that is evident throughout. From the delicate calligraphy adorning the walls to the intricate wood carvings that adorn the ceilings, every element of the design has been carefully considered and executed with the utmost care. The use of traditional materials, such as carved stone and intricate woodwork, further enhances the sense of timelessness that permeates the space.As I explore the various rooms and courtyards, I am struck by the sense of community and unity that pervades the space. The ancestral hall serves as a gathering place for the Chen clan, a space where they can come together to celebrate their shared heritage and honor their ancestors. The sense of belonging and shared identity that is palpable in this place is truly remarkable, a testament to the enduring power of family and tradition.One of the most fascinating aspects of the Chen family ancestral hall is the way in which it has adapted to the changing times. While the core of the building remains unchanged, the way in which it is usedand experienced has evolved over the centuries. Today, the hall serves not only as a place of reverence and ancestral worship, but also as a hub for cultural and educational activities. Workshops on traditional Chinese arts and crafts, lectures on the history of the Chen family, and community events all take place within the walls of this remarkable structure.As I prepare to depart, I cannot help but feel a deep sense of awe and respect for the Chen family and the legacy they have built. The ancestral hall is not just a building, but a living, breathing embodiment of the family's history, values, and traditions. It is a place that inspires a sense of wonder and reverence, a testament to the enduring power of family and the importance of preserving our cultural heritage.In conclusion, the Chen family ancestral hall is a truly remarkable and awe-inspiring place. From its grand architectural design to its rich historical significance, this building stands as a testament to the enduring power of family and tradition. As I depart, I am left with a deep appreciation for the Chen family and the legacy they have built, and a renewed sense of the importance of preserving our cultural heritage for generations to come.。

拉曼与AFM联用 TERS

AFM-microRaman and nanoRaman TMIntroductionThe use of Raman microscopy has become animportant tool for the analysis of materials on themicron scale. The unique confocal and spatialresolution of the LabRAM series has enabled opticalfar field resolution to be pushed to its limits withoften sub-micron resolution achievable.The next step to material analysis on a smallerscale has been the combination of Ramanspectroscopic analysis with near field optics and anAtomic force microscope (AFM). The hybridRaman/AFM combination enables nanometrictopographical information to be coupled to chemical(spectroscopic) information. The unique designsdeveloped by HORIBA Jobin Yvon enable in-situRaman measurements to be made upon variousdifferent AFM units, and for the exploration of newand evolving techniques such as nanoRamanspectroscopy based on the TERS (tip enhancedRaman spectroscopy) effect.AFM image of nano-structures on a SiN sampleHORIBA Jobin Yvon offers both off-axis and on-axisAFM/Raman coupling to better match your sampleand analysis requirements.Off-axis and inverted on-axis configurations forAFM/Raman coupling showing the laser (blue) andRaman (pink) optical pathThe LabRAM-Nano Series is based on the provenLabRAM HR system providing unsurpassedperformance for classical Raman analysis. With theAFM coupling option, it becomes the platform ofchoice for AFM/Raman experiments. The off-axisgeometry offers large sample handling capabilitiesand is ideally suited for the analysis ofsemiconductor materials, wafers and more generallyopaque samples.For biological and life science applications, theLabRAM-Nano operates in inverted on-axisconfiguration with a confocal inverted Ramanmicroscope on top of which the AFM unit is directlymounted. This system is ideally suited for the studyof transparent biological samples such as singlecells, tissue samples and bio-polymers.In both systems, AFM and SNOM fluorescencemeasurements can be combined with Ramananalysis to provide a more completecharacterisation of sample chemistry andmorphology on the same area. Several AFMsystems from leading AFM manufacturers can beadapted on these two instruments. Please contactus to find out which one is best for you!AFM- microRaman dual analysisThe seamless integration of hardware and software of both systems onto the same platform enables fast and user-friendly operation of both systems at the same time. Furthermore, the AFM/Raman coupling does not compromise the individual capabilities of either system and the imaging modes of the AFM remain available (EFM, MFM, Tapping Mode, etc.)The operator has direct access to both the nanometric topography of a sample given by the AFM, and the chemical information from the micro-Raman measurement. An AFM image can berecorded as an initial survey map, in which regions of interest can be defined for further Raman analysis, using the same software.An example of such analysis is illustrated below by an AFM image of Carbon Nanotubes (CNTs) giving information on the CNTs’ length, diameters and aggregation state. A more detailed AFM image is then obtained in which Raman analysis can be performed.Carbon nanotubes AFM images with a gold-coated tip in contact mode. The diameter of the bundles of nanotubes is between 10 and 30 nm.NanoRaman for TERS experimentsSurface Enhance Raman Scattering (SERS) has long been used to enhance weak Raman signals by means of surface plasmon resonance using nanoparticle colloids or rough metallic substrates, allowing to detect chemical species at ppm levels.The TERS effect is based on the same principle, but uses a metal-coated AFM tip (instead of nanoparticles) as an antenna that enhances the Raman signal coming from the sample area which is in contact (near-field). Although not yet fully understood, the TERS effect has attracted a lot of interest, as it holds the promise of producing chemical images with nanometric resolution.The LabRAM-Nano offers an ideal platform,combining state-of-the-art AFMs with our Raman expertise to perform exploratory TERS experiments with confidence.Raman signal TERS enhancement on a Silicon sample with far field suppression thanks to adequate polarization configuration. Red : Far field + Near Field (tip in contact)– Blue : Far field only (tip withdrawn)Technical specificationsFlexure guided scanner is used to maintain zero background curvature below 2 nm out-of-planeFor non-TERS measurements, classical Raman measurements can be made on the same spot as AFM images by translating the sample with a high-accuracy positioning stage from the AFM setup to the Raman setup (and vice et versa). The AFM map can be used to define a region of interest for the Raman analysisusing a common software.LabRAM-Nano coupled with Veeco’s Dimension 3100 AFMThe on-axis coupling configuration enables both AFM-microRaman dual analysis and TERS measurementson transparent and biological samples. The AFM is directly coupled onto the inverted microscope and directlyinterfaced to the LabRAM HR microprobe. It can also be taken off the optical microscope to obtain AFMimages in a different location. Seamless software integration is realized to provide a common platform to bothsystems for both AFM and Raman analysis of the same area and TERS investigation.Bioscope II from VeecoLabRAM-Nano coupled with Park Systems(formerly PSIA) XE-120Off-axis coupling for AFM-microRaman and nanoRaman (TERS)For both dual AFM-microRaman dual analysis and TERS measurements, the off-axis coupling is ideally suited for opaque and large samples. For opaque samples, the inverted on-axis coupling is not possible as the sample will not transmit the laser beam. This can be solved by setting the microscope objective at some angle to avoid “shadowing” effects from the AFM cantilever. Here also, seamless software integration is realized to provide a common platform to both systems. The AFM can be controlled by the Raman software (LabSpec), and mapping areas can be defined on AFM images for further Raman analysis.France : HORIBA Jobin Yvon S.A.S., 231 rue de Lille, 59650 Villeneuve d’Ascq. Tel : +33 (0)3 20 59 18 00, Fax : +33 (0)3 20 59 18 08. Email : raman@jobinyvon.fr www.jobinyvon.frUSA : HORIBA Jobin Yvon Inc., 3880 Park Avenue, Edison, NJ 08820-3012. Tel : +1-732-494-8660, Fax : +1-732-549-2571. Email : raman@ Japan : HORIBA Ltd., JY Optical Sales Dept., 1-7-8 Higashi-kanda, Chiyoda-ku, Tokyo 101-0031. Tel: +81 (0)3 3861 8231, Fax: +81 (0)3 3861 8259. Email: raman@ LabRAM-Nano coupled with Park Systems (formerly PSIA) XE-100Combined polarized Raman and atomic force microscopy:In situ study of point defects and mechanical properties in individual ZnO nanobelts Marcel Lucas,1Zhong Lin Wang,2and Elisa Riedo1,a͒1School of Physics,Georgia Institute of Technology,Atlanta,Georgia30332-0430,USA2School of Materials Science and Engineering,Georgia Institute of Technology,Atlanta,Georgia30332-0245,USA͑Received8June2009;accepted23June2009;published online4August2009͒We present a method,polarized Raman͑PR͒spectroscopy combined with atomic force microscopy͑AFM͒,to characterize in situ and nondestructively the structure and the physical properties ofindividual nanostructures.PR-AFM applied to individual ZnO nanobelts reveals the interplaybetween growth direction,point defects,morphology,and mechanical properties of thesenanostructures.In particular,weﬁnd that the presence of point defects can decrease the elasticmodulus of the nanobelts by one order of magnitude.More generally,PR-AFM can be extended todifferent types of nanostructures,which can be in as-fabricated devices.©2009American Instituteof Physics.͓DOI:10.1063/1.3177065͔Nanostructured materials,such as nanotubes,nanobelts ͑NBs͒,and thinﬁlms,have potential applications as elec-tronic components,catalysts,sensors,biomarkers,and en-ergy harvesters.1–5The growth direction of single-crystal nanostructures affects their mechanical,6–8optoelectronic,9 transport,4catalytic,5and tribological properties.10Recently, ZnO nanostructures have attracted a considerable interest for their unique piezoelectric,optoelectronic,andﬁeld emission properties.1,2,11,12Numerous experimental and theoretical studies have been undertaken to understand the properties of ZnO nanowires and NBs,11,12but several questions remain open.For example,it is often assumed that oxygen vacancies are present in bulk ZnO,and that their presence reduces the mechanical performance of ZnO materials.13However,no direct observation has supported the idea that point defects affect the mechanical properties of individual nanostructures.Only a few combinations of experimental techniques en-able the investigation of the mechanical properties,morphol-ogy,crystallographic structure/orientation and presence of defects in the same individual nanostructure,and they are rarely implemented due to technical challenges.Transmis-sion electron microscopy͑TEM͒can determine the crystal-lographic structure and morphology of nanomaterials that are thin enough for electrons to transmit through,4,14–17but suf-fers from some limitations.For example,characterization of point defects is rather challenging.14–17Also,the in situ TEM characterization of the mechanical and electronic properties of nanostructures is very challenging or impossible.15–17 Alternatively,atomic force microscopy͑AFM͒is well suited for probing the morphology,mechanical,magnetic, and electronic properties of nanostructures from the micron scale down to the atomic scale.3,6,7,10In parallel, Raman spectroscopy is effective in the characterization of the structure,mechanical deformation,and thermal proper-ties of nanostructures,18,19as well as the identiﬁcation of impurities.20Furthermore,polarized Raman͑PR͒spectros-copy was recently used to characterize the crystal structure and growth direction of individual single-crystal nanowires.21Here,an AFM is combined to a Raman microscope through an inverted optical microscope.The morphology and the mechanical properties of individual ZnO NBs are deter-mined by AFM,while polarized Raman spectroscopy is used to characterize in situ and nondestructively the growth direc-tion and randomly distributed defects in the same individual NBs.Weﬁnd that the presence of point defects can decrease the elastic modulus of the NBs by almost one order of mag-nitude.The ZnO NBs were prepared by physical vapor deposi-tion͑PVD͒without catalysts14and deposited on a glass cover slip.For the PR studies,the cover slip was glued to the bottom of a Petri dish,in which a hole was drilled to allow the laser beam to go through it.The round Petri dish was then placed on a sample plate below the AFM scanner,where it can be rotated by an angle␸,or clamped͑see Fig.1͒.The morphology and mechanical properties of the ZnO NBs were characterized with an Agilent PicoPlus AFM.The AFM was placed on top of an Olympus IX71inverted optical micro-scope using a quickslide stage͑Agilent͒.A silicon AFM probe͑PointProbe NCHR from Nanoworld͒,with a normal cantilever spring constant of26N/m and a radius of about 60nm,was used to collect the AFM topography and modulated nanoindentation data.The elastic modulus of the NBs was measured using the modulated nanoindentation method22by applying normal displacement oscillations at the frequency of994.8Hz,at the amplitude of1.2Å,and by varying the normal load.PR spectra were recorded in the backscattering geometry using a laser spot small enough ͑diameter of1–2␮m͒to probe one single NB at a time.The incident polarization direction can be rotated continuouslywith a half-wave plate and the scattered light is analyzedalong one of two perpendicular directions by a polarizer atthe entrance of the spectrometer͑Fig.1͒.Series of PR spec-tra from the bulk ZnO crystals and the individual ZnO NBswere collected with varying sample orientation␸͑the NBs are parallel to the incident polarization at␸=0͒,in the co-͑parallel incident and scattered analyzed polarizations͒and cross-polarized͑perpendicular incident and scattered ana-lyzed polarizations͒conﬁgurations.For the ZnO NBs,addi-tional series of PR spectra were collected where the incidenta͒Electronic mail:elisa.riedo@.APPLIED PHYSICS LETTERS95,051904͑2009͒0003-6951/2009/95͑5͒/051904/3/$25.00©2009American Institute of Physics95,051904-1polarization is rotated and the ZnO NB axis remained paral-lel or perpendicular to the analyzed scattered polarization ͑see supplementary information 25͒.The exposure time for each Raman spectrum was 10s for the bulk crystals and 20min for NBs.After each rotation of the NBs,the laser spot is recentered on the same NB and at the same location along the NB.Prior to the PR characterization of ZnO NBs,PR data were collected on the c -plane and m -plane of bulk ZnO crystals ͓Fig.2͑a ͔͒.In ambient conditions,ZnO has a wurtzite structure ͑space group C 6v 4͒.Group theory predicts four Raman-active modes:one A 1,one E 1,and two E 2modes.11,20,23The polar A 1and E 1modes split into transverse ͑TO ͒and longitudinal optical branches.On the c -plane ͑0001͒-oriented sample,only the E 2modes,at 99͑not shown ͒and 438cm −1,are observed,and their intensity is independent of the sample orientation ␸͓Fig.2͑a ͔͒.On them -plane ͑101¯0͒-oriented sample,the E 2,E 1͑TO ͒,and A 1͑TO ͒modes are observed at 99,438,409,and 377cm −1,respectively ͓Fig.2͑a ͔͒,and their intensity depends on ␸.Peaks at 203and 331cm −1in both crystals are assigned to multiple phonon scattering processes.The intensity,center,and width of the peaks at 438,409,and 377cm −1were obtained by ﬁtting the experimental PR spectra with Lorent-zian lines ͑see supplementary information 25͒.The successful ﬁts of the angular dependencies by using the group theory and crystal symmetry 23indicate that PR data can be used to characterize the growth direction of ZnO NBs.It is noted that the ZnO NBs studied here have dimensions over 300nm,so the determination of the growth direction is not ex-pected to be affected by any enhancement of the polarized Raman signal due to their high aspect ratio.24AFM images and PR data of three individual ZnO NBs are presented in Figs.2͑b ͒–2͑d ͒.These NBs,labeled NB1,NB2,and NB3,have different dimensions and properties assummarized in Table I .A comparison of the PR spectra in Figs.2͑a ͒–2͑d ͒reveals differences between bulk ZnO and individual NBs.First,the glass cover slip gives rise to a weak broadband centered around 350cm −1on the Raman spectra of the NBs ͓see bottom of Fig.2͑d ͔͒.Second,there are additional Raman bands around 224and 275cm −1for NB2and NB3.These bands are observed in doped or ion-implanted ZnO crystals.11,20Their appearance is explained by the disorder in the crystal lattice due to randomly distrib-uted point defects,such as oxygen vacancies or impurities.The defect peaks area increases in the order NB1ϽNB2ϽNB3.Since the laser spot diameter is larger than the width of all three NBs,but smaller than their length,L ,the NB volume probed by the laser beam is approximated by the product of the width,w ,with the thickness,t .ThevolumeFIG.1.͑Color online ͒Schematic of the experimental setup,showing the path of the laser beam.The ZnO NBs are deposited on a glass slide,which is placed inside a rotating Petridish.FIG.2.͑Color online ͒͑a ͒PR spectra from the c and m planes of a ZnO crystal,shown in blue and green,respectively.The wurtzite structure ͑Zn atoms are brown,O atoms red ͒is also shown,where a ء,b ء,and c ءare the reciprocal lattice vectors.͓͑b ͒–͑d ͔͒AFM images ͑3ϫ3␮m ͒of three NBs labeled NB1,NB2,and NB3and corresponding PR spectra.In ͑d ͒a PR spectrum of the glass substrate is shown at the bottom.All the PR spectra in ͑a ͒–͑d ͒are collected in the copolarized conﬁguration for ␸=0and 90°.The spectra are offset vertically for clarity.TABLE I.Summary of the PR-AFM results for NB1,NB2,and NB3.w ͑nm ͒t ͑nm ͒w /t L ͑␮m ͒␪͑°͒E ͑GPa ͒Defects NB11080875 1.24028Ϯ1562Ϯ5No NB21150710 1.64972Ϯ1538Ϯ5Yes NB315104553.35966Ϯ1517Ϯ5Yesprobed decreases in the order NB1͑wϫt=9.45ϫ103nm2͒ϾNB2͑8.17ϫ103nm2͒ϾNB3͑6.87ϫ103nm2͒.This indi-cates that the density of point defects is highest in NB3,and increases with the width to thickness ratio,w/t,in the order NB1ϽNB2ϽNB3.The PR intensity variations of the438cm−1peak as a function of␸in the various polarization conﬁgurations were ﬁtted by using group theory and crystal symmetry to deter-mine the angle␪between the NB long axis͑or growth di-rection͒and the c-axis͓͑0001͔axis͒of the constituting ZnO wurtzite structure21,23͑see supplementary information25͒.In-tensity variations of the377cm−1peak,when present,are used to conﬁrm the obtained values of␪.The results are shown in Table I and indicate that growth directions other than the most commonly observed c-axis are possible,par-ticularly when point defects are present.Finally,the elastic properties of NB1,NB2,and NB3are characterized by AFM using the modulated nanoindentation method.6,7,22In a previous study,the elastic modulus of ZnO NBs was found to decrease with increasing w/t and this w/t dependence was attributed to the presence of planar defects in NBs with high w/t.6,7By using PR-AFM,we can study the role of randomly distributed defects,morphology,and growth direction on the elastic properties in the same indi-vidual ZnO NB.The measured elastic moduli,E,are62GPa for NB1,38GPa for NB2,and17GPa for NB3.These PR-AFM results conﬁrm the w/t dependence of the elastic modulus in ZnO NBs,but more importantly they reveal that the elastic modulus of ZnO NBs can signiﬁcantly decrease, down by almost one order of magnitude,with the presence of randomly distributed point defects.In summary,a new approach combining polarized Raman spectroscopy and AFM reveals the strong inﬂuence of point defects on the elastic properties of ZnO NBs and their morphology.Based on a scanning probe,PR-AFM pro-vides an in situ and nondestructive tool for the complete characterization of the crystal structure and the physical properties of individual nanostructures that can be in as-fabricated nanodevices.The authors acknowledge theﬁnancial support from the Department of Energy under Grant No.DE-FG02-06ER46293.1Y.Qin,X.Wang,and Z.L.Wang,Nature͑London͒451,809͑2008͒.2X.Wang,J.Song,J.Liu,and Z.L.Wang,Science316,102͑2007͒.3D.J.Müller and Y.F.Dufrêne,Nat.Nanotechnol.3,261͑2008͒.4H.Peng,C.Xie,D.T.Schoen,and Y.Cui,Nano Lett.8,1511͑2008͒. 5U.Diebold,Surf.Sci.Rep.48,53͑2003͒.6M.Lucas,W.J.Mai,R.Yang,Z.L.Wang,and E.Riedo,Nano Lett.7, 1314͑2007͒.7M.Lucas,W.J.Mai,R.Yang,Z.L.Wang,and E.Riedo,Philos.Mag.87, 2135͑2007͒.8M.D.Uchic,D.M.Dimiduk,J.N.Florando,and W.D.Nix,Science305, 986͑2004͒.9D.-S.Yang,o,and A.H.Zewail,Science321,1660͑2008͒.10M.Dienwiebel,G.S.Verhoeven,N.Pradeep,J.W.M.Frenken,J.A. Heimberg,and H.W.Zandbergen,Phys.Rev.Lett.92,126101͑2004͒. 11Ü.Özgür,Ya.I.Alivov,C.Liu,A.Teke,M.A.Reshchikov,S.Doğan,V. Avrutin,S.-J.Cho,and H.Morkoç,J.Appl.Phys.98,041301͑2005͒. 12Z.L.Wang,J.Phys.:Condens.Matter16,R829͑2004͒.13G.R.Li,T.Hu,G.L.Pan,T.Y.Yan,X.P.Gao,and H.Y.Zhu,J.Phys. Chem.C112,11859͑2008͒.14Z.W.Pan,Z.R.Dai,and Z.L.Wang,Science291,1947͑2001͒.15P.Poncharal,Z.L.Wang,D.Ugarte,and W.A.De Heer,Science283, 1513͑1999͒.16A.M.Minor,J.W.Morris,and E.A.Stach,Appl.Phys.Lett.79,1625͑2001͒.17B.Varghese,Y.Zhang,L.Dai,V.B.C.Tan,C.T.Lim,and C.-H.Sow, Nano Lett.8,3226͑2008͒.18M.Lucas and R.J.Young,Phys.Rev.B69,085405͑2004͒.19I.Calizo,A.A.Balandin,W.Bao,F.Miao,and u,Nano Lett.7, 2645͑2007͒.20H.Zhong,J.Wang,X.Chen,Z.Li,W.Xu,and W.Lu,J.Appl.Phys.99, 103905͑2006͒.21T.Livneh,J.Zhang,G.Cheng,and M.Moskovits,Phys.Rev.B74, 035320͑2006͒.22I.Palaci,S.Fedrigo,H.Brune,C.Klinke,M.Chen,and E.Riedo,Phys. Rev.Lett.94,175502͑2005͒.23C.A.Arguello,D.L.Rousseau,and S.P.S.Porto,Phys.Rev.181,1351͑1969͒.24H.M.Fan,X.F.Fan,Z.H.Ni,Z.X.Shen,Y.P.Feng,and B.S.Zou, J.Phys.Chem.C112,1865͑2008͒.25See EPAPS supplementary material at /10.1063/ 1.3177065for more information on the PR spectra.Growth direction and morphology of ZnO nanobelts revealed by combining in situ atomic forcemicroscopy and polarized Raman spectroscopyMarcel Lucas,1,*Zhong Lin Wang,2and Elisa Riedo1,†1School of Physics,Georgia Institute of Technology,Atlanta,Georgia30332-0430,USA 2School of Materials Science and Engineering,Georgia Institute of Technology,Atlanta,Georgia30332-0245,USA ͑Received26June2009;revised manuscript received28September2009;published14January2010͒Control over the morphology and structure of nanostructures is essential for their technological applications,since their physical properties depend signiﬁcantly on their dimensions,crystallographic structure,and growthdirection.A combination of polarized Raman͑PR͒spectroscopy and atomic force microscopy͑AFM͒is usedto characterize the growth direction,the presence of point defects and the morphology of individual ZnOnanobelts.PR-AFM data reveal two growth modes during the synthesis of ZnO nanobelts by physical vapordeposition.In the thermodynamics-controlled growth mode,nanobelts grow along a direction close to͓0001͔,their morphology is growth-direction dependent,and they exhibit no point defects.In the kinetics-controlledgrowth mode,nanobelts grow along directions almost perpendicular to͓0001͔,and they exhibit point defects.DOI:10.1103/PhysRevB.81.045415PACS number͑s͒:61.46.Ϫw,61.72.Dd,78.30.Ly,81.10.ϪhI.INTRODUCTIONControl over the morphology and structure of nanostruc-tured materials is essential for the development of future de-vices,since their physical properties depend on their dimen-sions and crystallographic structure.1–15In particular,the growth direction of single-crystal nanostructures affects their piezoelectric,1,2transport,3catalytic,4mechanical,5–9 optoelectronic,10and tribological properties.11ZnO nano-structures with various morphologies͑wires,belts,helices, rings,tubes,…͒have been successfully synthesized in solu-tion and in the vapor phase,14–19but little is known about their growth mechanism,particularly in a process not involv-ing catalyst particles.17Understanding the growth mecha-nism and determining the decisive parameters directing the growth of nanostructures and tailoring their morphology is essential for the use of ZnO nanobelts as power generators or electromechanical systems.1,2,5,6From a theoretical stand-point,a shape-dependent thermodynamic model showed that the morphology of ZnO nanobelts grown in equilibrium con-ditions depends on their growth direction,but the role of defects was not considered.20Experimentally,it was shown that the growth direction of ZnO nanostructures can be di-rected by the synthesis conditions,such as the oxygen con-tent in the furnace.19A previous study combining scanning electron microscopy and x-ray diffraction suggested a growth-direction-dependent morphology.20An atomic force microscopy͑AFM͒combined with transmission electron mi-croscopy also suggested that the morphology of ZnO nano-belts is correlated with their growth direction and highlighted the potentially important role of planar defects.5 Growth modes out of thermodynamic equilibrium and the role of point defects5,17are particularly challenging to inves-tigate experimentally,21due to the lack of appropriate experi-mental techniques.Electron microscopy can determine the crystallographic structure and morphology of conductive nanomaterials,3,17,22–24but is not suitable for the character-ization of point defects,especially when their distribution is disordered.17,22–24Raman spectroscopy has been used for the characterization of the structure of carbon nanotubes,25,26the identiﬁcation of impurities,27and the determination of the crystal structure28and growth direction of individual single-crystal nanowires.29Recently,polarized Raman͑PR͒spec-troscopy has been coupled to AFM to study in situ the inter-play between point defects and mechanical properties of ZnO nanobelts.30Here,PR-AFM is used to study the growth mechanism and the relationship between growth direction,point defects, and morphology of individual ZnO nanobelts.The morphol-ogy of an individual ZnO nanobelt is determined by AFM, while the growth direction and randomly distributed defects in the same individual nanobelt are characterized by polar-ized Raman spectroscopy.II.EXPERIMENTALThe ZnO nanobelts were prepared by physical vapor deposition͑PVD͒without catalysts following the method de-scribed in Ref.17.The ZnO nanobelts were deposited on a glass cover slip,which was glued to a Petri dish.The rotat-able Petri dish was then placed on a sample plate under an Agilent PicoPlus AFM equipped with a scanner of100ϫ100␮m2range.Topography images of the ZnO nanobelts were collected in the contact mode with CONTR probes͑NanoWorld AG,Neuchâtel,Switzerland͒of normal spring constant0.21N/m at a set point of2nN.The AFM was placed on top of an Olympus IX71inverted optical micro-scope that is coupled to a Horiba Jobin-Yvon LabRam HR800.PR spectra were recorded in the backscattering ge-ometry using a40ϫ͑0.6NA͒objective focusing a laser beam of wavelength785nm on the sample to a power den-sity of about105W/cm2and a spot size of about2␮m. The incident polarization direction can be rotated continu-ously with a half-wave plate.The scattered light was ana-lyzed along one of two perpendicular directions by a polar-izer at the entrance of the spectrometer.The intensity,center, and width of the Raman bands were obtained byﬁtting the spectra with Lorentzian lines.The polarization dependence of the quantum efﬁciency of the Raman spectrometer was tested by measuring the intensity variations of the377,409,PHYSICAL REVIEW B81,045415͑2010͒1098-0121/2010/81͑4͒/045415͑5͒©2010The American Physical Society045415-1and 438cm −1bands from two bulk ZnO crystals ͑c -plane and m -plane ZnO crystals,MTI Corporation ͒.The PR data from bulk crystals were successfully ﬁtted using group theory and crystal symmetry 28without further calibration of the spectrometer or data correction.III.RESULTS AND DISCUSSIONAFM images and PR data of two individual ZnO nano-belts are presented in Fig.1.These nanobelts have different cross-sections,1320ϫ1080nm 2͑nanobelt labeled NB A͒FIG.1.͑Color online ͒PR-AFM results on individual ZnO nanobelts.͑a ͒AFM topography image,͑b ͒typical PR spectra for different sample orientations ␸and polarization conﬁgurations,and ͑c ͒–͑f ͒polar plots of the angular dependence of the Raman intensities for the nanobelt NB A.͑g ͒AFM topography image,͑h ͒typical PR spectra,and ͑i ͒–͑l ͒polar plots of the angular dependence of the Raman intensities for the nanobelt NB B.The Raman spectra in ͑h ͒exhibit peaks centered at 224and 275cm −1͑triangles ͒that are characteristic of defects in the nanobelt NB B.The Raman spectra are offset vertically for clarity.In ͑c ͒,͑d ͒,͑i ͒,and ͑j ͒,the nanobelt axis is rotated in a ﬁxed polarization conﬁguration ͑solid squares:copolarized;open squares:cross polarized ͒and is parallel to the incident polarization for ␸=0°.In ͑e ͒,͑f ͒,͑k ͒,and ͑l ͒,the incident polarization is rotated,while the analyzed polarization and the nanobelt axis are ﬁxed.In ͑e ͒,͑f ͒,͑k ͒,and ͑l ͒,at the angle 0°,the nanobelt is perpendicular to the incident polarization and the incident and analyzed polarizations are parallel ͑solid squares ͒or perpendicular ͑open squares ͒.Typical Raman spectra of the glass cover slip in the copolarized and cross-polarized conﬁgurations are shown as a reference in ͑b ͒and ͑h ͒,respectively.LUCAS,WANG,AND RIEDO PHYSICAL REVIEW B 81,045415͑2010͒045415-2。

二氧化碳浓度升高对植物影响的研究进展

二氧化碳浓度升高对植物影响的研究进展摘要摘要：二氧化碳是作物光合作用的原料，对植物的生长发育会产生显著影响。

本文通过对国内外二氧化碳浓度升高的研究现状，归纳出其对植物的影响状况。

二氧化碳浓度的升高对植物体的生长整体上具有促进作用，主要表现在植物形态、植物生理、植物根系、产量品质、植物种群、植物群落和植物生态系统。

对植物生理的影响主要表现在植物光合作用、呼吸作用、蒸腾作用、植物抗逆性等方面。

关键词：CO2；植物；影响0前言2009年11月24日发布的《哥本哈根诊断》报告指出,到2100年全球气温可能上升7°C,海平面可能上升1米以上。

世界自然基金委员会发表的另一份报告称,到2050年,全球海平面将上升50厘米,就全球而言,136座沿海大城市,价值28.21万亿美元的财产将受到影响。

为此,就要求大气中的温室气体浓度稳定在450ppm 二氧化碳当量,气温升高控制在2°C左右。

根据世界银行报告《2010世界发展报告:发展与气候变化》提供的最新资料,在过去150年,由于人类排放的温室气体,全球气温已经比工业化前升高了将近1°C;预计21世纪(指2000-2100年)全球温度将比工业化前总共升高5°C。

C02是作物光合作用的原料，C02浓度增加及其温室效应引起的气候变化，对植物的生长发育会产生显著影响。

近20年来，世界各国科学家对此作了较为详细的研究，其研究涉及到植物的形态学特征、生理生化机制、生物量及籽粒品质等多方面内容，取得了明显的进展。

1 CO2浓度升高对植物体的影响1.1对植物形态的影响CO2浓度的升高对植物形态具有一定的影响，会使植物的冠幅、高度增大;茎干中次生木质部的生长轮加宽,材积增大;节间数、叶片数增多;叶片厚度增加,栅栏组织层数增加,下表皮有的覆盖有角质层,单位面积内表皮细胞和气孔数量减少;根系数量增多,根幅扩大;果实种子增大。

1.2对植物生理的影响1.2.1对光合作用的影响光合作用作为植物物质生产的生理过程,连接植物生长、叶的化学特征、物候和生物产量分配对CO2浓度升高的反应。

南昌万寿宫英文介绍作文

南昌万寿宫英文介绍作文The Wanshou Palace in Nanchang: A Timeless Architectural MasterpieceThe Wanshou Palace in Nanchang, Jiangxi Province, China, is a captivating historical and cultural landmark that has stood the test of time. This magnificent structure, dating back to the Ming Dynasty, is a testament to the rich architectural heritage of the region and offers visitors a glimpse into the grandeur of China's imperial past.Nestled in the heart of Nanchang, the Wanshou Palace commands attention with its striking and meticulously designed architecture. The palace complex is a harmonious blend of traditional Chinese elements, showcasing the intricate craftsmanship and attention to detail that characterized the Ming Dynasty. As visitors approach the palace, they are greeted by the imposing main gate, known as the Meridian Gate, which serves as the primary entrance to the complex.The Meridian Gate, with its towering eaves and ornate carvings, sets the stage for the grandeur that awaits within. Passing through the gate, visitors find themselves in a spacious courtyard, surrounded by a series of interconnected buildings and pavilions that collectivelyform the Wanshou Palace. Each structure is a masterpiece in its own right, exhibiting the hallmarks of classic Ming Dynasty architecture, including sweeping roofs, intricate wood carvings, and delicate painted decorations.One of the most captivating features of the Wanshou Palace is the Dacheng Hall, the main hall of the complex. This imposing structure, with its towering eaves and ornate detailing, serves as the centerpiece of the palace. The Dacheng Hall was once the site of important imperial ceremonies and rituals, and its grandeur and elegance continue to awe and inspire visitors today.Surrounding the Dacheng Hall are a series of smaller pavilions and courtyards, each with its own unique charm and character. The Wuying Pavilion, for instance, is a delicate and ornate structure that offers stunning views of the palace grounds and the surrounding landscape. The Zhonghua Pavilion, on the other hand, is known for its intricate wood carvings and delicate painted decorations, which showcase the exceptional craftsmanship of the Ming Dynasty artisans.As visitors explore the Wanshou Palace, they can't help but be struck by the attention to detail and the harmonious integration of the various architectural elements. The use of symmetry, the careful placement of buildings, and the seamless blending of indoor andoutdoor spaces all contribute to the overall sense of balance and harmony that pervades the palace complex.Beyond its architectural marvels, the Wanshou Palace is also a repository of rich cultural and historical significance. The palace was once a hub of imperial activity, serving as a venue for important ceremonies and a center of political and administrative power. Today, the palace has been meticulously restored and preserved, allowing visitors to immerse themselves in the history and grandeur of China's imperial past.One of the most captivating aspects of the Wanshou Palace is the way it seamlessly blends the past and the present. While the palace's architecture and design remain firmly rooted in the Ming Dynasty, the site has been carefully adapted to accommodate modern visitors and their needs. Pathways wind through the palace grounds, guiding visitors on a journey of discovery, while informative signage and multimedia displays provide valuable context and insights into the palace's rich history.The Wanshou Palace is not just a static monument to the past; it is a living, breathing testament to the enduring power of Chinese culture and the resilience of its architectural traditions. Visitors to the palace can't help but be transported to a bygone era, where the echoes of imperial power and the whispers of centuries-old stories still linger inthe air.In conclusion, the Wanshou Palace in Nanchang is a true masterpiece of Chinese architecture and a must-visit destination for anyone interested in the country's rich cultural heritage. Whether you are a history buff, an architecture enthusiast, or simply someone who appreciates the beauty and grandeur of timeless structures, the Wanshou Palace is sure to leave a lasting impression. It is a testament to the enduring spirit of the Chinese people and a reminder of the incredible achievements of the Ming Dynasty, which continue to inspire and captivate visitors from around the world.。

剪窗花英文作文

剪窗花英文作文Paper-cutting is a traditional art form that has been practiced in China for centuries. It involves the intricate cutting of designs, patterns, and images into paper using a sharp knife or scissors. This delicate and intricate art form has a rich history and cultural significance, and it continues to be an important part of Chinese cultural heritage.The origins of paper-cutting in China can be traced back to the 6th century AD, when the invention of paper made it possible to create these delicate and intricate designs. Initially, paper-cutting was used for religious and ceremonial purposes, with designs often depicting auspicious symbols and motifs. Over time, the art form evolved and became more diverse, with paper-cutters creating a wide range of designs, from traditional floral and animal motifs to more abstract and contemporary patterns.One of the most distinctive features of Chinese paper-cutting is the use of symmetry and balance in the designs. Paper-cutters often create designs that are perfectly symmetrical, with intricate patternsthat are repeated on both sides of the paper. This symmetry is not only aesthetically pleasing, but it also reflects the Chinese philosophy of balance and harmony.In addition to its visual appeal, paper-cutting also has a practical purpose. Paper-cut designs were often used to decorate windows, doors, and other surfaces, providing a decorative and functional element to the home. Paper-cut designs were also used in the creation of lanterns, fans, and other traditional Chinese objects, adding a touch of beauty and tradition to these everyday items.Despite the long history of paper-cutting in China, the art form has not remained static. Over the centuries, paper-cutting has evolved and adapted to changing cultural and social contexts. In the 20th century, for example, paper-cutting was used as a tool for political and social commentary, with artists creating designs that expressed their views on important issues of the day.Today, paper-cutting remains an important part of Chinese cultural heritage, and it continues to be practiced by both professional and amateur artists. Many paper-cutters have developed their own unique styles and techniques, with some focusing on traditional designs and others experimenting with more contemporary and abstract patterns.One of the most fascinating aspects of paper-cutting is the level of skill and precision required to create these intricate designs. Paper-cutters must have a steady hand and a keen eye for detail, as they use sharp knives or scissors to carefully cut through the paper, creating delicate and intricate patterns. The process of paper-cutting is also often described as meditative, with the repetitive motion and focus required to create these designs often leading to a state of deep concentration and calm.Despite the challenges of paper-cutting, the art form continues to attract new generations of practitioners. Many young people in China are taking up the art, learning from experienced paper-cutters and experimenting with new techniques and designs. This interest in paper-cutting is not only a testament to the enduring appeal of this traditional art form, but also a reflection of the growing appreciation for Chinese cultural heritage among younger generations.In addition to its cultural significance, paper-cutting also has a practical application in the modern world. Paper-cut designs are often used in the creation of greeting cards, invitations, and other stationery items, adding a touch of elegance and tradition to these everyday objects. Paper-cutting is also used in the creation of decorative items, such as window hangings, wall art, and even clothing and accessories.Overall, paper-cutting is a truly remarkable art form that has stood the test of time. Its intricate designs, rich history, and cultural significance make it a cherished part of Chinese cultural heritage. As the art form continues to evolve and adapt to changing times, it is sure to remain an important and beloved tradition for generations to come.。

礼赞古韵展新颜的英语作文

In the realm of culture,the ancient charm has always held a unique and irreplaceable position.As time progresses,this charm is not only preserved but also rejuvenated, reflecting the evolution of society and the enrichment of human spirit.The following essay aims to explore the essence of ancient charm and its modern manifestations.The ancient charm,often rooted in the rich history and cultural heritage of a civilization, is a testament to the wisdom and creativity of our ancestors.It is embodied in various forms such as architecture,literature,music,and art,each telling a story of the past and offering a glimpse into the collective memory of a society.In architecture,ancient charm is reflected in the intricate designs and structural ingenuity of historical buildings.From the grandeur of ancient Chinese pagodas to the majestic pyramids of Egypt,these structures stand as a bridge between the past and the present, inspiring awe and admiration.Modern architects,in their quest to create sustainable and functional spaces,often draw inspiration from these ancient designs,incorporating elements of symmetry,balance,and harmony into their work.Literature is another domain where the ancient charm continues to resonate.Classic works of poetry,prose,and drama from different cultures have been passed down through generations,offering timeless insights into the human condition.Modern writers, while exploring new themes and styles,often pay homage to these classics,either by reinterpreting them or by incorporating their themes and motifs into contemporary narratives.Music,too,has been greatly influenced by the ancient charm.Traditional melodies and rhythms have been adapted and fused with modern genres,creating a unique blend of old and new.This fusion not only preserves the essence of traditional music but also introduces it to a wider audience,ensuring that the ancient charm continues to captivate listeners across the globe.Art,in its various forms,is another avenue where the ancient charm is celebrated and revitalized.From the delicate brush strokes of Chinese calligraphy to the vibrant colors of Indian miniature paintings,traditional art forms have inspired modern artists to experiment with new techniques and mediums.This fusion of traditional and contemporary art not only pays tribute to the past but also pushes the boundaries of artistic expression.In conclusion,the ancient charm,with its rich history and cultural significance,continues to inspire and influence modern society.By embracing and adapting these ancient elements,we not only honor our heritage but also contribute to the ongoing evolution ofculture.The fusion of the old and the new,the traditional and the contemporary,is a testament to the enduring appeal of the ancient charm and its ability to adapt and thrive in the everchanging landscape of human expression.。

英语作文罗马体

英语作文罗马体The Roman style of writing has long been admired for its elegance and precision. This ancient script, with its distinct letterforms and disciplined structure, has captivated writers and scholars alike for centuries. As an English essayist, I am drawn to the timeless allure of the Roman alphabet and the rich tradition it represents. In this essay, I will explore the unique characteristics of Roman-style writing and discuss its enduring influence on the art of the written word.At the heart of the Roman style lies a fundamental principle of balance and proportion. The letterforms themselves are characterized by clean, angular lines and a harmonious relationship between thick and thin strokes. This sense of order and symmetry is not merely aesthetic but serves a functional purpose, making the text highly legible and visually appealing. The consistent spacing between letters and the careful alignment of words create a sense of rhythm and flow, guiding the reader's eye effortlessly across the page.One of the most striking features of the Roman style is the use of serifs, the small projections at the ends of each letter. These subtledetails not only add visual interest but also serve to enhance the readability of the text. Serifs help to anchor the letters and create a sense of stability, making the words appear more grounded and substantial. This attention to detail is a hallmark of the Roman aesthetic, reflecting the meticulous craftsmanship and attention to form that defined the classical world.Beyond the physical attributes of the script, the Roman style also embodies a philosophical approach to writing. The emphasis on clarity, concision, and logical organization reflects the values of ancient Roman society, where rhetoric and persuasive communication were highly prized. The structure of a Roman-style essay, with its well-defined introduction, body, and conclusion, mirrors the rhetorical strategies employed by great orators and statesmen of the time.Moreover, the Roman style has been closely associated with the pursuit of knowledge and the dissemination of information. The elegant, dignified appearance of Roman-style texts has lent an air of authority and credibility to the written word, making it the preferred medium for scholarly works, official documents, and other serious forms of communication. This association with intellectual rigor and intellectual authority has endured, shaping the way we perceive and engage with the written word even in the modern era.Yet the influence of the Roman style extends far beyond the realm of academia and formal writing. The clean, timeless aesthetic of Roman letterforms has found its way into a wide range of artistic and cultural expressions, from architecture and design to typography and branding. The enduring popularity of Roman-inspired fonts, such as Times New Roman and Garamond, attests to the enduring appeal of this classical script.Furthermore, the principles of balance, proportion, and clarity that underpin the Roman style have been adopted and adapted by writers and thinkers across various disciplines. The emphasis on logical organization and concise expression, for instance, has been embraced by advocates of plain language and clear communication, who seek to make complex ideas accessible to a wider audience.In the digital age, where the written word is increasingly consumed on screens rather than in physical books, the Roman style has remained a touchstone for those seeking to create content that is visually appealing, easy to read, and enduring. The inherent legibility and timelessness of the Roman script have made it a preferred choice for web designers, app developers, and other digital content creators who aim to craft experiences that are both aesthetically pleasing and functionally effective.As an English essayist, I am deeply inspired by the enduring legacy ofthe Roman style. The discipline, elegance, and intellectual rigor it embodies resonate with my own approach to the written word. In crafting this essay, I have sought to emulate the hallmarks of the Roman aesthetic, from the careful structuring of my arguments to the precise and economical use of language.Ultimately, the Roman style represents a timeless ideal of written expression – one that values clarity, balance, and the pursuit of knowledge. As we navigate the ever-evolving landscape of contemporary writing, it is my hope that the enduring influence of this classical script will continue to shape and inspire the art of the essay, guiding us towards a deeper appreciation of the power and beauty of the written word.。

英语作文-古典家具：品味世界各地的家居艺术

英语作文-古典家具：品味世界各地的家居艺术Classical furniture represents a convergence of artistry, history, and cultural heritage from around the globe. From the intricate designs of European Baroque to the simplicity and elegance of Japanese minimalism, each piece tells a story of its time and place, reflecting the tastes and values of the societies that produced them.Starting with European classical furniture, we are transported to an era of opulence and grandeur. The Baroque style, originating in 17th century Italy, is characterized by its ornate details, exaggerated proportions, and dramatic effects. Pieces from this period, such as elaborately carved chairs and gilded cabinets, embody the wealth and power of the aristocracy. Moving into the 18th century, the Rococo style emerged in France, marked by its lighter, more playful forms and delicate motifs inspired by nature. The craftsmanship of French Rococo furniture, with its sinuous curves and floral patterns, reflects a shift towards elegance and sophistication.In contrast to the lavishness of European styles, Asian classical furniture emphasizes simplicity, harmony, and functionality. Traditional Japanese furniture, influenced by Zen Buddhism and the principles of wabi-sabi, focuses on natural materials and minimalist design. Tatami mats, sliding doors, and low wooden tables characterize Japanese interiors, promoting a sense of tranquility and connection with nature. Chinese classical furniture, on the other hand, emphasizes symmetry, balance, and the use of auspicious motifs like dragons and phoenixes. Ming and Qing dynasty furniture, crafted from precious woods and adorned with intricate joinery, embodies the craftsmanship and cultural symbolism of ancient China.Venturing into the Middle East, we encounter classical Islamic furniture, renowned for its geometric patterns, arabesques, and calligraphic designs. Influenced by Islamic art and architecture, furniture from regions such as Persia and the Ottoman Empire combines functionality with intricate ornamentation. Brass inlays, carved wood panels, and vibranttextiles are integral to the aesthetic, reflecting a blend of cultural influences from across the Islamic world.Across the Atlantic, American classical furniture spans various periods, from the Colonial era to the Federal and Victorian periods. Colonial furniture, influenced by European styles but adapted to local materials and craftsmanship, emphasizes simplicity and durability. The Federal style, emerging in the late 18th century, reflects a growing national identity with its neoclassical motifs and elegant proportions. Victorian furniture, on the other hand, is characterized by its ornate details, dark woods, and eclectic mix of influences from Gothic to Renaissance Revival styles.In conclusion, classical furniture from around the world offers a glimpse into the rich tapestry of human creativity and cultural expression. Whether exploring the intricate carvings of European Baroque, the serene simplicity of Japanese minimalism, or the geometric patterns of Islamic art, each piece of classical furniture tells a unique story. These pieces not only serve practical functions but also serve as tangible links to our collective past, reminding us of the enduring beauty and craftsmanship of bygone eras. Through their timeless appeal, classical furniture continues to enrich our homes and inspire contemporary design, bridging the gap between tradition and modernity in today's globalized world.。

用数字,对比手法写动物的作文

用数字,对比手法写动物的作文英文回答：In the vast tapestry of the natural world, animals come in all shapes, sizes, and abilities. Some are large and powerful, while others are small and nimble. Some live in the air, while others swim in the water or dwell on land. This diversity is a testament to the remarkableadaptability and resilience of the animal kingdom.Size and strength are often associated with dominance and power. The African elephant, the largest land mammal,is a prime example of this. With its massive weight and towering height, the elephant is virtually unchallenged in its habitat. Its intelligence and social nature also contribute to its success as a species. In contrast, the diminutive hummingbird is a tiny creature that weighs less than a dime. However, it is incredibly agile and has a unique ability to hover in midair while feeding. Its small size allows it to reach nectar-rich flowers that manylarger birds cannot access.Habitat and lifestyle also play a significant role in determining an animal's characteristics. The snow leopard, an elusive predator found in the high mountains of Central Asia, has adapted to its freezing environment with thickfur and large paws that distribute its weight over the snow. It is known for its exceptional climbing and hunting abilities, which allow it to navigate treacherous terrain and capture prey. The blue whale, on the other hand, is the largest animal on Earth and spends its life in the open ocean. Its specialized baleen plates allow it to filter massive amounts of krill, its primary food source. Its streamlined body and powerful tail enable it to travel long distances with ease.Intelligence and learning are essential traits for survival in the animal kingdom. The chimpanzee, a highly intelligent primate, has demonstrated remarkable problem-solving abilities and a capacity for tool use. It is known for its complex social structure and use of vocalizationsto communicate. In contrast, the jellyfish, a simple marineinvertebrate, lacks a brain and nervous system. Instead, it relies on its radial symmetry and pulsating bell to moveand capture prey.Sensory perception is another key factor in animal behavior. The eagle, a keen-eyed bird of prey, has exceptional vision that allows it to spot potential prey from great distances. Its curved beak and sharp talons enable it to capture and kill its targets with precision.In contrast, the mole, a small, burrowing mammal, has poor eyesight but an acute sense of hearing and smell. Its subterranean lifestyle necessitates these adaptations,which allow it to navigate its dark and cramped environment.The animal kingdom is truly a remarkable and diverse realm. From the largest elephant to the smallest hummingbird, from the elusive snow leopard to the vast blue whale, each animal has its own unique set ofcharacteristics that allow it to thrive in its environment. By understanding and appreciating these differences, wegain a deeper appreciation for the intricate beauty and resilience of the natural world.中文回答：动物世界丰富多彩，形态各异，能力不一。

用英语介绍一件古老物品带图画的作文

用英语介绍一件古老物品带图画的作文As one explores the rich tapestry of human history, there are numerous artifacts that capture our interest and curiosity. Among these, one item stands out - a piece of ancient pottery known as the 'Greco-Bactrian Northern Painted Ware'.This beautiful piece dates back to the Hellenistic period, around 2200 years ago, when the Greek culture made its way towards Central Asia. The Greco-Bactrian Kingdom was formed in 250 BC and lasted for over a century before it disappeared into the pages of history.The pottery is a unique example of how Greek artisans adapted their style to suit local tastes. The intricate geometric patterns on the pot display an incredible level of skill and mastery by the artists who created it. Using stunning hues of red, black and white paint, they executed precise designs so precise that they clearly show their knowledge of symmetry.What's particularly interesting is this pottery's function- it was discovered alongside other similar vessels in funereal sites. However, some historians believe that these were not everyday objects but rather ceremonial jars usedfor religious purposes or as offerings to Gods.A close examination unveils much more than just an aesthetically pleasing object - each aspect speaks volumes about ancient Bactria's culture and history. The fusion of eastern and western aesthetics on this vessel epitomizes each civilization’s cross-cultural exchange at work.Thus we see a fascinating link between two contrasting cultures brought into harmony through centuries-old trade and cultural exchange. This artifact continues to be a magnificent reminder of our shared cultural heritage; proof that Greek art isn't only limited to Greece but has left an indelible mark throughout civilizations across Central Asia.In conclusion, looking at this piece shines a light on ancient practices, linking together different societies separated by thousands of miles through time and space.With its glossy finish still evident today after all those years buried under desert hillsides, this vase remains an exquisite time capsule capturing us with one tiny glimpse into our ancestors’ past lives from another age entirely.。

形态各异的花英语作文

形态各异的花英语作文英文回答：Flowers come in a vast array of forms and structures, each with its own unique characteristics that contribute to the overall beauty and diversity of the natural world. The diversity of flower shapes and structures is a result of millions of years of evolution, as plants have adapted to different environments and pollination strategies.One of the most striking features of flowers is their symmetry. Flowers can be either radially symmetric or bilaterally symmetric. Radially symmetric flowers, such as roses and daisies, have petals that are arranged in a circular pattern around a central axis. Bilaterally symmetric flowers, such as snapdragons and orchids, have petals that are arranged in a mirror-image pattern oneither side of a central axis.Another important aspect of flower structure is thenumber of petals. Flowers can have anywhere from one to hundreds of petals. The number of petals is often determined by the species of plant and the type of pollinator that the flower is adapted to attract. For example, flowers that are pollinated by bees typically have a large number of small petals, while flowers that are pollinated by birds or butterflies often have a smaller number of larger petals.The shape of the petals is also an important factor in flower structure. Petals can be simple or complex, and they can come in a wide variety of shapes and sizes. The shape of the petals is often determined by the function of the flower. For example, petals that are designed to attract pollinators are often brightly colored and have a sweet scent.The structure of the reproductive organs of flowers is also important. The reproductive organs of flowers are located in the center of the flower and consist of the stamens and the pistil. The stamens are the male reproductive organs and they produce pollen. The pistil isthe female reproductive organ and it contains the ovules. The structure of the reproductive organs is oftendetermined by the species of plant and the type ofpollinator that the flower is adapted to attract.The diversity of flower shapes and structures is a testament to the creativity and adaptability of nature. Flowers have evolved to take on a wide variety of forms and structures in order to attract pollinators and reproduce. The beauty and diversity of flowers is a joy to behold andit is an important part of the natural world.中文回答：花朵形态各异，各有特色，为大自然的美丽与多样性增添了独特的魅力。

英语介绍旅游名胜古迹作文

Traveling has always been a passion of mine, and as a high school student with a thirst for adventure and knowledge, Ive been fortunate enough to explore some of the worlds most renowned historical sites and natural wonders. These experiences have not only broadened my horizons but also instilled in me a profound appreciation for the rich tapestry of human history and the majesty of nature.One of the most memorable trips Ive taken was to the Great Wall of China. This ancient marvel stretches over 13,000 miles and is a testament to the ingenuity and perseverance of its builders. Standing atop one of the watchtowers, gazing out at the seemingly endless wall snaking across the rugged terrain, I felt a deep sense of awe. The Great Wall is not just a defense structure its a symbol of Chinas rich history and cultural heritage. As I walked along the battlements, I couldnt help but imagine the countless soldiers who once stood guard, protecting their homeland from invaders.Another unforgettable experience was my visit to the ancient city of Petra in Jordan. Known as the Rose City due to the color of its sandstone cliffs, Petra is a treasure trove of wellpreserved architecture carved directly into the rock. The Treasury, AlKhazneh, with its intricate facade, was particularly breathtaking. The citys blend of Eastern and Western architectural styles reflects the melting pot of cultures that once thrived there. As I wandered through the narrow passages and marveled at the tombs and temples, I felt a connection to the Nabatean people who built this city over two thousand years ago.My journey to the Galápagos Islands was a stark contrast to the historical sites I had visited. This archipelago, located off the coast of Ecuador, is a living laboratory of evolution. The unique wildlife, such as the giant tortoises and the fearless marine iguanas, is a testament to the power of natural selection. Snorkeling in the crystalclear waters, I was surrounded by a vibrant array of marine life, each species adapted to its specific environment. The Galápagos Islands are a stark reminder of the delicate balance of ecosystems and the importance of conservation efforts.No discussion of world wonders would be complete without mentioning the aweinspiring Taj Mahal in India. This whitemarble mausoleum is a symbol of love, built by the Mughal emperor Shah Jahan in memory of his wife Mumtaz Mahal. The intricate carvings and the play of light on the marble as the day progresses make the Taj Mahal a sight to behold. As I walked through the gardens and approached the main structure, I was struck by the symmetry and the serene atmosphere it exudes. The Taj Mahal is not just a monument its a poem in stone, capturing the essence of eternal love.Lastly, my trip to the Serengeti in Tanzania was an experience that words cannot fully capture. Witnessing the Great Migration, where millions of wildebeest, zebras, and gazelles traverse the plains in search of fresh grazing grounds, was a humbling experience. The sheer scale of this natural phenomenon and the survival instincts on display were both aweinspiring and a stark reminder of the cycle of life. The Serengeti is a place where one can truly feel the pulse of the wild and appreciate the interconnectedness of all living things.In conclusion, my travels have been a journey through time and space, allowing me to witness the grandeur of human achievements and the splendor of the natural world. Each destination has left an indelible mark on my soul, shaping my perspective on the world and the importance of preserving both our cultural and natural heritage for future generations to appreciate and learn from.。

每个生命都是奇迹英语作文

每个生命都是奇迹英语作文Title: Every Life is a Miracle。

Life, in all its forms, is a miracle. From the tiniest insect to the grandest of mammals, each living being holds within it a marvel of existence that defies comprehension. In this essay, we shall explore the wondrous nature of life and why it is deserving of such a profound title.Firstly, let us consider the sheer complexity of life. Every organism, whether microscopic or gargantuan, is a masterpiece of intricate biological design. From the elegant symmetry of a flower's petals to the intricate neural networks of the human brain, life exhibits a level of organization and sophistication that astounds the mind. Even the simplest of single-celled organisms harbor within them a universe of biochemical processes that sustain their existence and contribute to the intricate web of life on our planet.Furthermore, the diversity of life is a testament toits miraculous nature. The sheer variety of species that inhabit our world, each adapted to its own unique niche and environment, is a source of endless wonder. From the depths of the ocean to the heights of the mountains, life has found a way to thrive in the most extreme of conditions. This diversity not only enriches the tapestry of life but also serves as a reminder of the resilience andadaptability of living organisms.Moreover, the miracle of life extends beyond the realm of biology to encompass the intangible qualities that make each individual unique. The capacity for consciousness,self-awareness, and emotion sets humans apart from other forms of life and imbues existence with a depth of meaning and significance. The ability to experience joy, love, and wonderment is a privilege afforded to sentient beings and adds an extra layer of complexity to the miracle of life.Additionally, the interconnectedness of all living things further underscores the miraculous nature of life. From the microscopic interactions between cells to theglobal ecosystems that sustain all forms of life, every organism plays a vital role in the web of life. Thedelicate balance of these interactions, often imperceptible to the human eye, is essential for the continuedflourishing of life on Earth.In conclusion, life is indeed a miracle in every sense of the word. Its complexity, diversity, and interconnectedness all contribute to its awe-inspiring nature. Whether we contemplate the intricacies of a single cell or the vastness of the cosmos, we are confronted with the profound mystery of existence. Every life, no matter how small or seemingly insignificant, is a testament to the miraculous beauty of the universe.。

单晶Checkcif所有检测内容汇总及解释以及解决方法

Checkcif所有检测内容汇总以下内容均基于IUCr官方网站的说明，同Platon软件有少许差别，请注意分辨。

ABSTY02_ALERT_1_C An _exptl_absorpt_correction_type has been given without a literature citation. This should be contained in the _exptl_absorpt_process_details field. Absorption correction given as multi-scan.警告原因：采用了吸收校正，但是没有给出吸收校正细节和参考文献。

解决方法：在_exptl_absorpt_process_details项下给出吸收校正文献和细节。

如果没做吸收校正_exptl_absorpt_correction_type后面改成none。

CHEMW03_ALERT_2_A ALERT: The ratio of given/expected molecular weight as calculated from the _atom_site* data lies outside。

警告原因：分子式和Z值没有给对。

解决方法：在ins里给对分子式和Z值重新精修生成cif。

CRYSC01_ALERT_1_C The word below has not been recognised as a standard identifier.警告原因：cif中使用的单词无法被识别。

解决方法：检查单词拼写是否有错误，是否为cif可识别的单词。

CRYSC01_ALERT_1_C No recognised colour has been given for crystal colour.警告原因：晶体颜色描述无法被cif识别。

解决方法：检查单词拼写是否有错误，是否为cif可识别的单词。

中国语言变化英语作文

中国语言变化英语作文The Evolution of the Chinese Language in English CompositionThe Chinese language, with its rich history and profound cultural significance, has undergone significant changes over the centuries. As China continues to integrate with the global community, the English language has become anessential tool for international communication. This essay will explore the evolution of the Chinese language within the context of English composition, focusing on how Chinese linguistic elements have been adapted and incorporated into English writing.Firstly, the influence of Chinese linguistics can be observed in the growing use of Chinese loanwords and phrases in English texts. Words such as "kung fu," "feng shui," and "dim sum" have become common in English vocabulary,reflecting the cultural exchange between the East and the West. These terms not only enrich the English language but also serve as a bridge for understanding Chinese culture.Secondly, the structure and syntax of the Chinese language have inspired a unique style of English writing. Chinese is a language that often prioritizes context over explicitness, which can lead to a more concise and sometimes ambiguous form of expression. English writers, particularly those with a background in Chinese, may adopt this approachto create a more nuanced and subtle narrative.Moreover, the Chinese language's emphasis on harmony and balance has influenced the aesthetic of English compositions. The use of parallelism and symmetry, common in classical Chinese literature, can be seen in the structuring of sentences and paragraphs in English writing. This technique enhances the rhythm and flow of the text, making it more pleasing to read.The evolution of the Chinese language in English composition is also evident in the realm of creative writing. Many English-speaking authors have been inspired by Chinese folklore, mythology, and philosophical thought. Works that draw from these sources often exhibit a blend of Eastern and Western storytelling techniques, offering readers a fresh perspective and a new dimension of understanding.Lastly, the rise of China as a global superpower has led to an increased interest in learning the Chinese language and culture. This has resulted in a demand for English compositions that provide insights into Chinese language and culture, thereby promoting cultural exchange and mutual understanding.In conclusion, the Chinese language has significantly evolved within the context of English composition. The integration of Chinese linguistic elements, cultural references, and philosophical concepts has not only diversified the English language but also fostered a deeper appreciation for Chinese culture among English-speakingaudiences. As the world becomes more interconnected, the fusion of languages and cultures in written works will continue to be a dynamic and enriching aspect of global communication.。

自然电子轨道NBO分析方法

自然电子轨道NBO分析方法自然键轨道(NBO)分析方法分子轨道未经定域化处理，将导致计算结果与我们通常的成键概念有所不同。

例如在乙烯分子中，碳碳之间为双键，但在正则MO中，反映C与C之间成键作用的MO可能有多个，因此根据正则MO 的结果，我们无法断定C—C是单键还是双键。

此时，通过对正则MO的定域化处理，可以得到通常意义上的成键图像。

正则MO的定域化处理方法较多，其中较为常用的是NBO方法，其使用方法是在输入文件中添加关键词：POP=NBO以乙烯分子为例：%mem=32mb#p b3lyp/3-21g pop=nbo 进行NBO成键分析The NBO analysis of ethylene0,1CC,1,CCH,1,CH,2,HCCH,1,CH,2,HCC,3,180.,0H,2,CH,1,HCC,3,180.,0H,2,CH,1,HCC,4,180.,0CC=1.31477CH=1.07363HCC=121.8867Entering Link 1 = C:\G03W\l1.exe PID= 2100.Copyright (c) 1988,1990,1992,1993,1995,1998,2003, Gaussian, Inc.All Rights Reserved.This is the Gaussian(R) 03 program. It is based on the the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),the Gaussian 86(TM) system (copyright 1986, Carnegie MellonUniversity), and the Gaussian 82(TM) system (copyright 1983,Carnegie Mellon University). Gaussian is a federally registeredtrademark of Gaussian, Inc.This software contains proprietary and confidentialinformation,including trade secrets, belonging to Gaussian, Inc.This software is provided under written license and may beused, copied, transmitted, or stored only in accord with thatwritten license.The following legend is applicable only to US Government contracts under DFARS:RESTRICTED RIGHTS LEGENDUse, duplication or disclosure by the US Government is subjectto restrictions as set forth in subparagraph (c)(1)(ii) of the Rights in Technical Data and Computer Software clause at DFARS252.227-7013.Gaussian, Inc.Carnegie Office Park, Building 6, Pittsburgh, PA 15106 USAThe following legend is applicable only to US Government contracts under FAR:RESTRICTED RIGHTS LEGENDUse, reproduction and disclosure by the US Government is subjectto restrictions as set forth in subparagraph (c) of theCommercial Computer Software - Restricted Rights clause at FAR52.227-19.Gaussian, Inc.Carnegie Office Park, Building 6, Pittsburgh, PA 15106 USA---------------------------------------------------------------Warning -- This program may not be used in any manner thatcompetes with the business of Gaussian, Inc. or will provideassistance to any competitor of Gaussian, Inc. Thelicenseeof this program is prohibited from giving any competitor ofGaussian, Inc. access to this program. By using this program,the user acknowledges that Gaussian, Inc. is engaged in thebusiness of creating and licensing software in the field of computational chemistry and represents and warrants to thelicensee that it is not a competitor of Gaussian, Inc. and thatit will not use this program in any manner prohibited above.---------------------------------------------------------------Cite this work as:Gaussian 03, Revision B.01,M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, M. A. Robb, J. R. Cheeseman, J. A. Montgomery, Jr., T. Vreven,K. N. Kudin, J. C. Burant, J. M. Millam, S. S. Iyengar, J. Tomasi,V. Barone, B. Mennucci, M. Cossi, G. Scalmani, N. Rega,G. A. Petersson, H. Nakatsuji, M. Hada, M. Ehara, K. Toyota,R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao,H. Nakai, M. Klene, X. Li, J. E. Knox, H. P. Hratchian, J.B. Cross,C. Adamo, J. Jaramillo, R. Gomperts, R. E. Stratmann, O. Yazyev,A. J. Austin, R. Cammi, C. Pomelli, J. W. Ochterski, P. Y. Ayala,K. Morokuma, G. A. Voth, P. Salvador, J. J. Dannenberg, V. G. Zakrzewski, S. Dapprich, A. D. Daniels, M. C. Strain, O. Farkas, D. K. Malick, A. D. Rabuck, K. Raghavachari, J. B. Foresman, J. V. Ortiz, Q. Cui, A. G. Baboul, S. Clifford,J. Cioslowski, B. B. Stefanov, G. Liu, A. Liashenko, P. Piskorz,I. Komaromi, R. L. Martin, D. J. Fox, T. Keith, M. A.Al-Laham,C. Y. Peng, A. Nanayakkara, M. Challacombe, P. M. W. Gill,B. Johnson, W. Chen, M. W. Wong,C. Gonzalez, and J. A. Pople,Gaussian, Inc., Pittsburgh PA, 2003.********************************************* Gaussian 03: x86-Win32-G03RevB.01 3-Mar-200322-Dec-2014********************************************* %mem=32mbDefault route: MaxDisk=2000MB----------------------#p b3lyp/3-21G pop=NBO----------------------1/38=1/1;2/17=6,18=5,40=1/2;3/5=5,11=2,16=1,25=1,30=1,74=-5/1,2,3;4//1;5/5=2,32=1,38=5/2;6/7=2,8=2,9=2,10=2,28=1/1,7;99/5=1,9=1/99;Leave Link 1 at Mon Dec 22 10:12:15 2014, MaxMem= 4194304 cpu: 0.0(Enter C:\G03W\l101.exe)----------------------------The NBO analysis of ethylene----------------------------Symbolic Z-matrix:Charge = 0 Multiplicity = 1CC 1 CCH 1 CH 2 HCCH 1 CH 2 HCC3 180. 0H 2 CH 1 HCC3 180. 0H 2 CH 1 HCC4 180. 0Variables:CC 1.31477CH 1.07363HCC 121.8867Isotopes and Nuclear Properties:Atom 1 2 34 5 6IAtWgt= 12 12 11 1 1AtmWgt= 12.0000000 12.0000000 1.00782501.0078250 1.0078250 1.0078250IAtSpn= 0 0 11 1 1AtZEff= 0.0000000 0.0000000 0.00000000.0000000 0.0000000 0.0000000AtQMom= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000AtGFac= 0.0000000 0.0000000 2.7928460 2.7928460 2.7928460 2.7928460Leave Link 101 at Mon Dec 22 10:12:15 2014, MaxMem= 4194304 cpu: 0.0(Enter C:\G03W\l202.exe)Input orientation: --------------------------------------------------------------------- Center Atomic AtomicCoordinates (Angstroms)Number Number Type X Y Z---------------------------------------------------------------------1 6 0 0.000000 0.000000 0.0000002 6 0 0.000000 0.000000 1.3147703 1 0 0.911613 0.000000 -0.5671364 1 0 -0.911613 0.000000 -0.5671365 1 0 -0.911613 0.000000 1.8819066 1 0 0.911613 0.000000 1.881906---------------------------------------------------------------------Distance matrix (angstroms):1 2 34 51 C 0.0000002 C 1.314770 0.0000003 H 1.073630 2.091078 0.0000004 H 1.073630 2.091078 1.8232260.0000005 H 2.091078 1.073630 3.0531882.449041 0.0000006 H 2.091078 1.073630 2.4490413.053188 1.82322666 H 0.000000Stoichiometry C2H4Framework group D2H[C2"(C.C),SG(H4)]Deg. of freedom 3Full point group D2H NOp 8 Largest Abelian subgroup D2H NOp 8 Largest concise Abelian subgroup D2 NOp 4Standard orientation: ---------------------------------------------------------------------Center Atomic AtomicCoordinates (Angstroms)Number Number Type XY Z---------------------------------------------------------------------1 6 0 0.0000000.000000 0.6573852 6 0 0.0000000.000000 -0.6573853 1 0 0.0000000.911613 1.2245214 1 0 0.000000-0.911613 1.2245215 1 0 0.000000-0.911613 -1.2245216 1 0 0.0000000.911613 -1.224521---------------------------------------------------------------------Rotational constants (GHZ): 150.851941230.7849006 25.5672912Leave Link 202 at Mon Dec 22 10:12:15 2014, MaxMem= 4194304 cpu: 0.0(Enter C:\G03W\l301.exe)Standard basis: 3-21G (6D, 7F)There are 7 symmetry adapted basis functions of AG symmetry.There are 0 symmetry adapted basis functions ofB1G symmetry.There are 2 symmetry adapted basis functions ofB2G symmetry.There are 4 symmetry adapted basis functions ofB3G symmetry.There are 0 symmetry adapted basis functions of AU symmetry.There are 7 symmetry adapted basis functions ofB1U symmetry.There are 4 symmetry adapted basis functions ofB2U symmetry.There are 2 symmetry adapted basis functions ofB3U symmetry.Integral buffers will be 262144 words long.Raffenetti 2 integral format.Two-electron integral symmetry is turned on.26 basis functions, 42 primitive gaussians, 26 cartesian basis functions8 alpha electrons 8 beta electronsnuclear repulsion energy 33.7515964359 Hartrees.IExCor= 402 DFT=T Ex=B+HF Corr=LYP ExCW=0 ScaHFX= 0.200000ScaDFX= 0.800000 0.720000 1.000000 0.810000IRadAn= 0 IRanWt= -1 IRanGd=0 ICorTp=0NAtoms= 6 NActive= 6 NUniq= 2 SFac=5.66D+00 NAtFMM= 60 Big=FLeave Link 301 at Mon Dec 22 10:12:16 2014, MaxMem= 4194304 cpu: 0.0(Enter C:\G03W\l302.exe)NPDir=0 NMtPBC= 1 NCelOv= 1 NCel=1 NClECP= 1 NCelD= 1NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0.One-electron integrals computed using PRISM.One-electron integral symmetry used in STVIntNBasis= 26 RedAO= T NBF= 7 0 24 0 7 4 2NBsUse= 26 1.00D-06 NBFU= 7 0 24 0 7 4 2Precomputing XC quadrature grid usingIXCGrd= 2 IRadAn= 0 IRanWt=-1 IRanGd= 0.NRdTot= 359 NPtTot= 45406 NUsed= 47035 NTot= 47051NSgBfM= 26 26 26 26.Leave Link 302 at Mon Dec 22 10:12:16 2014, MaxMem= 4194304 cpu: 0.0(Enter C:\G03W\l303.exe)DipDrv: MaxL=1.Leave Link 303 at Mon Dec 22 10:12:16 2014, MaxMem= 4194304 cpu: 0.0(Enter C:\G03W\l401.exe)Harris functional with IExCor= 402 diagonalized for initial guess.ExpMin= 1.83D-01 ExpMax= 1.72D+02 ExpMxC=1.72D+02 IAcc=1 IRadAn= 1 AccDes= 1.00D-06HarFok: IExCor= 402 AccDes= 1.00D-06 IRadAn= 1 IDoV=1ScaDFX= 1.000000 1.000000 1.000000 1.000000 Harris En= -78.2050951851189Initial guess orbital symmetries:Occupied (B1U) (AG) (AG) (B1U) (B2U) (AG)(B3G) (B3U)Virtual (B2G) (B2U) (AG) (B1U) (B3G) (B1U) (AG) (B3U)(B2U) (B2G) (B1U) (AG) (B3G) (B2U) (B1U) (AG)(B3G) (B1U)The electronic state of the initial guess is 1-AG.Leave Link 401 at Mon Dec 22 10:12:16 2014, MaxMem= 4194304 cpu: 0.0(Enter C:\G03W\l502.exe)Warning! Cutoffs for single-point calculations used.Closed shell SCF:Requested convergence on RMS density matrix=1.00D-04 within 128 cycles.Requested convergence on MAX density matrix=1.00D-02.Requested convergence onenergy=5.00D-05.No special actions if energy rises.Using DIIS extrapolation, IDIIS= 1040.Integral symmetry usage will be decided dynamically.47034 words used for storage of precomputed grid.Keep R1 integrals in memory in canonical form, NReq= 537976.IEnd= 66709 IEndB= 66709 NGot= 4194304 MDV= 4083148LenX= 4083148Symmetry not used in FoFDir.MinBra= 0 MaxBra= 1 Meth= 1.IRaf= 0 NMat= 1 IRICut= 1 DoRegI=T DoRafI=F ISym2E= 0 JSym2E=0.Cycle 1 Pass 1 IDiag 1:E= -78.0698393698835DIIS: error= 6.31D-02 at cycle 1 NSaved= 1.NSaved= 1 IEnMin= 1 EnMin= -78.0698393698835 IErMin= 1 ErrMin= 6.31D-02ErrMax= 6.31D-02 EMaxC= 1.00D-01 BMatC= 8.34D-02 BMatP= 8.34D-02IDIUse=3 WtCom= 3.69D-01 WtEn= 6.31D-01Coeff-Com: 0.100D+01Coeff-En: 0.100D+01Coeff: 0.100D+01Gap= 0.296 Goal= None Shift= 0.000GapD= 0.296 DampG=1.000 DampE=0.500 DampFc=0.5000 IDamp=-1.Damping current iteration by 5.00D-01RMSDP=2.19D-02 MaxDP=1.08D-01OVMax= 1.56D-01Cycle 2 Pass 1 IDiag 1:E= -78.1160719860205 Delta-E=-0.046232616137 Rises=F Damp=TDIIS: error= 6.35D-03 at cycle 2 NSaved= 2.NSaved= 2 IEnMin= 2 EnMin= -78.1160719860205 IErMin= 2 ErrMin= 6.35D-03ErrMax= 6.35D-03 EMaxC= 1.00D-01 BMatC= 1.02D-03 BMatP= 8.34D-02IDIUse=3 WtCom= 9.37D-01 WtEn= 6.35D-02Coeff-Com: -0.313D-01 0.103D+01Coeff-En: 0.000D+00 0.100D+01Coeff: -0.293D-01 0.103D+01Gap= 0.301 Goal= None Shift= 0.000RMSDP=1.90D-03 MaxDP=8.30D-03 DE=-4.62D-02 OVMax= 7.45D-02Cycle 3 Pass 1 IDiag 1:E= -78.1603678598281 Delta-E=-0.044295873808 Rises=F Damp=FDIIS: error= 6.21D-04 at cycle 3 NSaved= 3.NSaved= 3 IEnMin= 3 EnMin= -78.1603678598281 IErMin= 3 ErrMin= 6.21D-04ErrMax= 6.21D-04 EMaxC= 1.00D-01 BMatC= 6.84D-06 BMatP= 1.02D-03IDIUse=3 WtCom= 9.94D-01 WtEn= 6.21D-03Coeff-Com: -0.592D-02 0.384D-01 0.967D+00Coeff-En: 0.000D+00 0.000D+00 0.100D+01Coeff: -0.588D-02 0.382D-01 0.968D+00Gap= 0.299 Goal= None Shift= 0.000RMSDP=2.06D-04 MaxDP=2.07D-03 DE=-4.43D-02 OVMax= 1.38D-03Cycle 4 Pass 1 IDiag 1:E= -78.1603763313634 Delta-E=-0.000008471535 Rises=F Damp=FDIIS: error= 6.41D-05 at cycle 4 NSaved= 4.NSaved= 4 IEnMin= 4 EnMin= -78.1603763313634 IErMin= 4 ErrMin= 6.41D-05ErrMax= 6.41D-05 EMaxC= 1.00D-01 BMatC= 7.72D-08 BMatP= 6.84D-06IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00Coeff-Com: 0.287D-03-0.320D-02 0.637D-01 0.939D+00 Coeff: 0.287D-03-0.320D-02 0.637D-01 0.939D+00 Gap= 0.299 Goal= None Shift= 0.000RMSDP=2.36D-05 MaxDP=2.31D-04 DE=-8.47D-06 OVMax= 1.12D-04SCF Done: E(RB+HF-LYP) = -78.1603763314A.U. after 4 cyclesConvg = 0.2365D-04-V/T = 2.0085S**2 = 0.0000KE= 7.750227529344D+01 PE=-2.479757014870D+02 EE= 5.856145342636D+01Leave Link 502 at Mon Dec 22 10:12:16 2014, MaxMem= 4194304 cpu: 0.0(Enter C:\G03W\l601.exe)Copying SCF densities to generalized density rwf, ISCF=0 IROHF=0.***************************************************** *****************Population analysis using the SCF density.***************************************************** *****************Orbital symmetries:Occupied (B1U) (AG) (AG) (B1U) (B2U) (AG) (B3G) (B3U)Virtual (B2G) (AG) (B2U) (B1U) (B3G) (B1U) (AG) (B2U)(B3U) (B2G) (B1U) (AG) (B3G) (B2U) (B1U) (B3G)(AG) (B1U)The electronic state is 1-AG.Alpha occ. eigenvalues -- -10.11473 -10.11384-0.76450 -0.57896 -0.47393Alpha occ. eigenvalues -- -0.42587 -0.35294-0.27287Alpha virt. eigenvalues -- 0.02574 0.148390.15900 0.18609 0.27999Alpha virt. eigenvalues -- 0.37431 0.658080.70943 0.72999 0.80352Alpha virt. eigenvalues -- 0.84423 0.876271.02327 1.06600 1.10465Alpha virt. eigenvalues -- 1.38482 1.404891.71336Condensed to atoms (all electrons):1 2 3 41 C 5.133974 0.569404 0.3839660.383966 -0.048019 -0.0480192 C 0.569404 5.133974 -0.048019-0.048019 0.383966 0.3839663 H 0.383966 -0.048019 0.510104-0.031643 0.003521 -0.0055644 H 0.383966 -0.048019 -0.0316430.510104 -0.005564 0.0035215 H -0.048019 0.383966 0.003521-0.005564 0.510104 -0.0316436 H -0.048019 0.383966 -0.0055640.003521 -0.031643 0.510104Mulliken atomic charges:11 C -0.3752722 C -0.3752723 H 0.1876364 H 0.1876365 H 0.1876366 H 0.187636Sum of Mulliken charges= 0.00000Atomic charges with hydrogens summed into heavy atoms:12 C 0.0000003 H 0.0000004 H 0.0000005 H 0.0000006 H 0.000000Sum of Mulliken charges= 0.00000Electronic spatial extent (au): <R**2>= 81.0319Charge= 0.0000 electronsDipole moment (field-independent basis, Debye):X= 0.0000 Y= 0.0000 Z= 0.0000 Tot= 0.0000Quadrupole moment (field-independent basis,Debye-Ang):XX= -15.1825 YY= -12.1400 ZZ=-11.9841XY= 0.0000 XZ= 0.0000 YZ=0.0000Traceless Quadrupole moment (field-independent basis, Debye-Ang):XX= -2.0803 YY= 0.9622 ZZ=1.1181XY= 0.0000 XZ= 0.0000 YZ=0.0000Debye-Ang**2):XXX= 0.0000 YYY= 0.0000 ZZZ=0.0000 XYY= 0.0000XXY= 0.0000 XXZ= 0.0000 XZZ=0.0000 YZZ= 0.0000YYZ= 0.0000 XYZ= 0.0000Hexadecapole moment (field-independent basis, Debye-Ang**3):XXXX= -15.4496 YYYY= -24.7454 ZZZZ=-63.7369 XXXY= 0.0000XXXZ= 0.0000 YYYX= 0.0000 YYYZ=0.0000 ZZZX= 0.0000ZZZY= 0.0000 XXYY= -7.2693 XXZZ=-14.2187 YYZZ= -12.4223XXYZ= 0.0000 YYXZ= 0.0000 ZZXY=0.0000N-N= 3.375159643587D+01 E-N=-2.479768211140D+02 KE= 7.750227529344D+01Symmetry AG KE= 3.728364031898D+01Symmetry B1G KE= 0.000000000000D+00Symmetry B2G KE= 4.245017828591D-33Symmetry B3G KE= 2.103943491718D+00Symmetry AU KE= 0.000000000000D+00Symmetry B2U KE= 1.892312781415D+00Symmetry B3U KE= 2.092878738177D+00No NMR shielding tensors so no spin-rotation constants.Leave Link 601 at Mon Dec 22 10:12:16 2014, MaxMem= 4194304 cpu: 0.0(Enter C:\G03W\l607.exe)******************************Gaussian NBO Version 3.1******************************N A T U R A L A T O M I C O R B I T A L A N DN A T U R A L B O N D O R B I T A LA N A L Y S I S******************************Gaussian NBO Version 3.1******************************/RESON / : Allow strongly delocalized NBO set Analyzing the SCF densityJob title: The NBO analysis of ethyleneStorage needed: 2186 in NPA, 2827 in NBO ( 4194170 available)NATURAL POPULATIONS: Natural atomic orbital occupanciesNAO Atom No lang Type(AO) Occupancy Energy----------------------------------------------------------1 C 1 S Cor( 1S) 1.99851-9.960322 C 1 S Val( 2S) 1.04384-0.205393 C 1 S Ryd( 3S) 0.001181.460314 C 1 px Val( 2p) 0.99869-0.109835 C 1 px Ryd( 3p) 0.001310.753026 C 1 py Val( 2p) 1.21847-0.038097 C 1 py Ryd( 3p) 0.003021.046458 C 1 pz Val( 2p) 1.15764-0.049389 C 1 pz Ryd( 3p) 0.0040510 C 2 S Cor( 1S) 1.99851 -9.9603211 C 2 S Val( 2S) 1.04384 -0.2053912 C 2 S Ryd( 3S) 0.00118 1.4603113 C 2 px Val( 2p) 0.99869 -0.1098314 C 2 px Ryd( 3p) 0.00131 0.7530215 C 2 py Val( 2p) 1.21847 -0.0380916 C 2 py Ryd( 3p) 0.00302 1.0464517 C 2 pz Val( 2p) 1.15764 -0.0493818 C 2 pz Ryd( 3p) 0.00405 0.6783819 H 3 S Val( 1S) 0.78566 0.0887020 H 3 S Ryd( 2S) 0.0009921 H 4 S Val( 1S) 0.78566 0.0887022 H 4 S Ryd( 2S) 0.00099 0.7223323 H 5 S Val( 1S) 0.78566 0.0887024 H 5 S Ryd( 2S) 0.00099 0.7223325 H 6 S Val( 1S) 0.78566 0.0887026 H 6 S Ryd( 2S) 0.00099 0.72233WARNING: 1 low occupancy (<1.9990e) core orbital found on C 11 low occupancy (<1.9990e) core orbital found on C 2NBO计算结果的主要内容Summary of Natural Population Analysis:自然电荷Natural PopulationNatural-----------------------------------------------Atom No Charge Core Valence Rydberg Total核心原子价里德伯常数（光谱学单位）-----------------------------------------------------------------------C 1 -0.42670 1.99851 4.418630.00956 6.42670C 2 -0.42670 1.99851 4.418630.00956 6.42670H 3 0.21335 0.00000 0.785660.00099 0.78665H 4 0.21335 0.00000 0.785660.00099 0.78665H 5 0.21335 0.00000 0.785660.00099 0.78665H 6 0.21335 0.00000 0.785660.00099 0.78665===============================================* Total * 0.00000 3.99703 11.979910.02307 16.00000Natural Population --------------------------------------------------------Core 3.99703 ( 99.9257% of 4)Valence 11.97991 ( 99.8325% of 12)Natural Minimal Basis 15.97693 ( 99.8558% of 16)Natural Rydberg Basis 0.02307 ( 0.1442% of 16)--------------------------------------------------------Atom No Natural Electron Configuration自然电子组态----------------------------------------------------------------------------C 1 [core]2S( 1.04)2p( 3.37)3p( 0.01)C的电子组态为：2s1.042p3.38C 2 [core]2S( 1.04)2p( 3.37)3p( 0.01)H 3 1S( 0.79)H 5 1S( 0.79)H 6 1S( 0.79)NATURAL BOND ORBITAL ANALYSIS:Occupancies Lewis Structure Low HighOcc. ------------------- ----------------- occ occCycle Thresh. Lewis Non-Lewis CR BD 3C LP (L) (NL) Dev=============================================== ==============================1(1) 1.90 15.94006 0.05994 2 6 0 0 0 0 0.03-----------------------------------------------------------------------------Structure accepted: No low occupancy Lewis orbitalsWARNING: 1 low occupancy (<1.9990e) core orbital1 low occupancy (<1.9990e) core orbitalfound on C 2--------------------------------------------------------Core 3.99704 ( 99.926% of4)Valence Lewis 11.94302 ( 99.525% of 12)==============================================Total Lewis 15.94006 ( 99.625% of 16)-----------------------------------------------------Valence non-Lewis 0.04717 ( 0.295% of 16)Rydberg non-Lewis 0.01278 ( 0.080% of 16)==============================================Total non-Lewis 0.05994 ( 0.375% of 16) --------------------------------------------------------自然键轨道的组成轨道类型：BD:成键轨道; CR:内层轨道; LP:孤对电子; RY: Rydberg弥散轨道；BD*:反键轨道---------------------------------------------------------------------------------1. (2.00000)BD ( 1) C 1 - C 2 键轨道系数轨道组成( 50.00%) 0.7071* C 1 s( 0.00%)p 1.00(100.00%)0.0000 0.0000 0.0000 0.9993 -0.0362该键轨道的电子填充数0.0000 0.0000 0.0000 0.0000( 50.00%) 0.7071* C 2 s( 0.00%)p 1.00(100.00%)0.0000 0.0000 0.0000 0.9993 -0.03620.0000 0.0000 0.0000 0.0000对于C原子，其轨道分别是(与所用基组有关，这里为3-21G)：1s2s3s 1px2px 1py2py 1pz2pz故由上述轨道组成可知，该轨道为C 2px之间形成的π键2. (1.99375) BD ( 2) C 1 - C 2( 50.00%) 0.7071* C 1 s( 39.08%)p 1.56( 60.92%)0.6246 0.0255 0.0000 0.00000.0000 0.0000 -0.7790 -0.0493( 50.00%) 0.7071* C 2 s( 39.08%)p 1.56( 60.92%)0.0002 0.6246 0.0255 0.0000 0.00000.0000 0.0000 0.7790 0.0493对于2号轨道，为C-C σ键，并可见这里C原子采用的sp2杂化方式.3. (1.98732) BD ( 1) C 1 - H 3( 60.77%) 0.7795* C 1 s( 30.49%)p 2.28( 69.51%)-0.0002 0.5521 -0.0111 0.0000 0.00000.7070 -0.0120 0.4415 0.0124( 39.23%) 0.6263* H 3 s(100.00%)1.0000 0.00104. (1.98732) BD ( 1) C 1 - H 4( 60.77%) 0.7795* C 1 s( 30.49%)p0.0002 -0.5521 0.0111 0.0000 0.00000.7070 -0.0120 -0.4415 -0.0124( 39.23%) 0.6263* H 4 s(100.00%)-1.0000 -0.00105. (1.98732) BD ( 1) C 2 - H 5( 60.77%) 0.7795* C 2 s( 30.49%)p 2.28( 69.51%)0.0002 -0.5521 0.0111 0.0000 0.00000.7070 -0.0120 0.4415 0.0124( 39.23%) 0.6263* H 5 s(100.00%)-1.0000 -0.00106. (1.98732) BD ( 1) C 2 - H 6( 60.77%) 0.7795* C 2 s( 30.49%)p 2.28( 69.51%)-0.0002 0.5521 -0.0111 0.0000 0.00000.7070( 39.23%) 0.6263* H 6 s(100.00%) 对3~6号轨道为C-H σ键1.0000 0.00107. (1.99852) CR ( 1) C 1 s(100.00%)p0.00( 0.00%)1.0000 0.0001 0.0000 0.0000 0.00000.0000 0.0000 0.0003 0.00008. (1.99852) CR ( 1) C 2 s(100.00%)p0.00( 0.00%)1.0000 0.0001 0.0000 0.0000 0.00000.0000 0.0000 -0.0003 0.00009. (0.00281) RY*( 1) C 1 s( 0.00%)p 1.00(100.00%)0.0000 0.0000 0.0000 0.0000 0.00000.0169 0.9999 0.0000 0.000010. (0.00158) RY*( 2) C 1 s( 11.86%)p0.0000 -0.0173 0.3440 0.0000 0.00000.0000 0.0000 0.0567 -0.937111. (0.00002) RY*( 3) C 1 s( 88.08%)p 0.14( 11.92%)12. (0.00000) RY*( 4) C 1 s( 0.00%)p 1.00(100.00%)13. (0.00281) RY*( 1) C 2 s( 0.00%)p 1.00(100.00%)0.0000 0.0000 0.0000 0.0000 0.00000.0169 0.9999 0.0000 0.000014. (0.00158) RY*( 2) C 2 s( 11.86%)p 7.43( 88.14%)0.0000 -0.0173 0.3440 0.0000 0.00000.0000 0.0000 -0.0567 0.937115. (0.00002) RY*( 3) C 2 s( 88.08%)p 0.14( 11.92%)16. (0.00000) RY*( 4) C 2 s( 0.00%)p17. (0.00099) RY*( 1) H 3 s(100.00%)-0.0010 1.000018. (0.00099) RY*( 1) H 4 s(100.00%)-0.0010 1.000019. (0.00099) RY*( 1) H 5 s(100.00%)-0.0010 1.000020. (0.00099) RY*( 1) H 6 s(100.00%)-0.0010 1.00007,8为C的内层轨道，9~20均为弥散轨道，电子填充数较少21. (0.00000) BD*( 1) C 1 - C 2( 50.00%) 0.7071* C 1 s( 0.00%)p 1.00(100.00%)( 50.00%) -0.7071* C 2 s( 0.00%)p 1.00(100.00%)22. (0.00754) BD*( 2) C 1 - C 2( 50.00%) 0.7071* C 1 s( 39.08%)p 1.56( 60.92%)0.0002 0.6246 0.0255 0.0000 0.00000.0000 -0.7790 -0.0493( 50.00%) -0.7071* C 2 s( 39.08%)p 1.56( 60.92%)0.0002 0.6246 0.0255 0.0000 0.00000.0000 0.0000 0.7790 0.049323. (0.00991) BD*( 1) C 1 - H 3( 39.23%) 0.6263* C 1 s( 30.49%)p 2.28( 69.51%)0.0002 -0.5521 0.0111 0.0000 0.0000-0.7070 0.0120 -0.4415 -0.0124( 60.77%) -0.7795* H 3 s(100.00%)-1.0000 -0.001024. (0.00991) BD*( 1) C 1 - H 4( 39.23%) 0.6263* C 1 s( 30.49%)p 2.28( 69.51%)-0.0002 0.5521 -0.0111 0.0000 0.0000-0.7070( 60.77%) -0.7795* H 4 s(100.00%)1.0000 0.001025. (0.00991) BD*( 1) C 2 - H 5( 39.23%) 0.6263* C 2 s( 30.49%)p 2.28( 69.51%)-0.0002 0.5521 -0.0111 0.0000 0.0000-0.7070 0.0120 -0.4415 -0.0124( 60.77%) -0.7795* H 5 s(100.00%)1.0000 0.001026. (0.00991) BD*( 1) C 2 - H 6( 39.23%) 0.6263* C 2 s( 30.49%)p 2.28( 69.51%)0.0002 -0.5521 0.0111 0.0000 0.0000-0.7070 0.0120 0.4415 0.0124( 60.77%) -0.7795* H 6 s(100.00%)-1.0000 -0.0010轨道NHO Directionality and "Bond Bending" (deviations from line of nuclear centers)[Thresholds for printing: angular deviation > 1.0 degree]hybridp-character > 25.0%orbital occupancy > 0.10eLine of CentersHybrid 1 Hybrid 2---------------------------------- ------------------NBO Theta PhiTheta Phi Dev Theta Phi Dev=============================================== =======================================1. BD ( 1) C 1 - C 2 180.0 0.0 90.0 0.0 90.0 90.0 0.0 90.090.0 1.3 -- -- --4. BD ( 1) C 1 - H 4 58.1 270.0 56.9 270.0 1.3 -- -- --5. BD ( 1) C 2 - H 5 121.9 270.0 123.1 270.0 1.3 -- -- --6. BD ( 1) C 2 - H 6 121.9 90.0 123.1 90.0 1.3 -- -- --Second Order Perturbation Theory Analysis of Fock Matrix in NBO BasisThreshold for printing: 0.50 kcal/molE(2) E(j)-E(i) F(i,j)Donor NBO (i) Acceptor NBO (j) kcal/mol a.u. a.u.=============================================== =============================================== =====within unit 12. BD ( 2) C 1 - C 2 / 24. BD*( 1) C1 - H 4 1.45 1.25 0.0382. BD ( 2) C 1 - C 2 / 25. BD*( 1) C 2 - H 5 1.45 1.25 0.0382. BD ( 2) C 1 - C 2 / 26. BD*( 1) C2 - H 6 1.45 1.25 0.0383. BD ( 1) C 1 - H 3 / 13. RY*( 1) C2 1.46 1.57 0.0433. BD ( 1) C 1 - H 3 / 14. RY*( 2) C2 0.55 1.25 0.0243. BD ( 1) C 1 - H 3 / 22. BD*( 2) C 1 - C 2 1.84 1.23 0.0423. BD ( 1) C 1 - H 3 / 25. BD*( 1) C 2 - H 54.17 1.01 0.0584. BD ( 1) C 1 - H 4 / 13. RY*( 1) C 2 1.46 1.57 0.0434. BD ( 1) C 1 - H 4 / 14. RY*( 2) C 2 0.55 1.25 0.0244. BD ( 1) C 1 - H 4 / 22. BD*( 2) C 1 - C 2 1.84 1.23 0.0424. BD ( 1) C 1 - H 4 / 26. BD*( 1) C 2 - H 6 4.17 1.01 0.0585. BD ( 1) C 2 - H 5 / 10. RY*( 2) C 1 0.55 1.25 0.0245. BD ( 1) C 2 - H 5 / 22. BD*( 2) C 1 - C 2 1.84 1.23 0.0425. BD ( 1) C 2 - H 5 / 23. BD*( 1) C 1 - H 3 4.17 1.01 0.0586. BD ( 1) C 2 - H 6 / 9. RY*( 1) C 1 1.46 1.57 0.0436. BD ( 1) C 2 - H 6 / 10. RY*( 2) C 1 0.55 1.25 0.0246. BD ( 1) C 2 - H 6 / 22. BD*( 2) C 1 - C 2 1.84 1.23 0.0426. BD ( 1) C 2 - H 6 / 24. BD*( 1) C 1 - H 4 4.17 1.01 0.0587. CR ( 1) C 1 / 14. RY*( 2) C 2 5.38 10.69 0.2147. CR ( 1) C 1 / 17. RY*( 1) H 3 1.72 10.68 0.1217. CR ( 1) C 1 / 18. RY*( 1) H 4 1.72 10.68 0.1217. CR ( 1) C 1 / 22. BD*( 2) C 1 - C 2 1.16 10.67 0.0998. CR ( 1) C 2 / 19. RY*( 1) H 5 1.72 10.68 0.1218. CR ( 1) C 2 / 20. RY*( 1) H 6 1.72 10.68 0.1218. CR ( 1) C 2 / 22. BD*( 2) C 1 - C 2 1.16 10.67 0.099Natural Bond Orbitals (Summary):Principal DelocalizationsNBO Occupancy Energy (geminal,vicinal,remote)=============================================== =====================================Molecular unit 1 (C2H4)1. BD ( 1) C 1 - C 22.00000-0.272872. BD ( 2) C 1 - C 2 1.99375-0.76213 23(g),24(g),25(g),26(g)-0.52360 25(v),22(g),13(v),14(v)4. BD ( 1) C 1 - H 4 1.98732 -0.52360 26(v),22(g),13(v),14(v)5. BD ( 1) C 2 - H 5 1.98732 -0.52360 23(v),22(g),9(v),10(v)6. BD ( 1) C 2 - H 6 1.98732 -0.52360 24(v),22(g),9(v),10(v)7. CR ( 1) C 1 1.99852 -9.96047 14(v),17(v),18(v),22(g)8. CR ( 1) C 2 1.99852 -9.96047 10(v),19(v),20(v),22(g)9. RY*( 1) C 1 0.00281 1.0477610. RY*( 2) C 1 0.00158 0.7286011. RY*( 3) C 1 0.00002 1.3913812. RY*( 4) C 1 0.00000 0.7582813. RY*( 1) C 2 0.00281 1.0477614. RY*( 2) C 2 0.00158 0.728601.3913816. RY*( 4) C 2 0.00000 0.7582817. RY*( 1) H 3 0.00099 0.7217518. RY*( 1) H 4 0.00099 0.7217519. RY*( 1) H 5 0.00099 0.7217520. RY*( 1) H 6 0.00099 0.7217521. BD*( 1) C 1 - C 2 0.00000 0.0426922. BD*( 2) C 1 - C 2 0.00754 0.7066223. BD*( 1) C 1 - H 3 0.00991 0.4890924. BD*( 1) C 1 - H 4 0.00991 0.4890925. BD*( 1) C 2 - H 5 0.00991 0.4890926. BD*( 1) C 2 - H 6 0.00991 0.48909。

播放数字积木作文的英语

The digital age has ushered in a plethora of innovative educational tools, and one such tool that has captured the imagination of students and educators alike is the digital building block. As a high school student, I have had the opportunity to engage with these digital building blocks, and the experience has been nothing short of transformative.Digital building blocks are essentially interactive, virtual representations of traditional building blocks. They can be manipulated in a digital environment to construct various structures, solve problems, and explore concepts in a handson manner. The use of these digital tools in the classroom has opened up a new realm of possibilities for learning and creativity.One of the most significant advantages of digital building blocks is their versatility. They can be used across various subjects, from mathematics and physics to art and design. For instance, in my geometry class, we used digital building blocks to visualize and understand complex geometric shapes and structures. By manipulating these virtual blocks, we were able to explore the properties of different shapes, such as volume, surface area, and symmetry, in a way that was both engaging and intuitive.Moreover, digital building blocks have also proven to be an excellent tool for fostering collaboration and teamwork. In my physics class, we worked in groups to construct virtual models of different mechanical systems using digital building blocks. This handson approach allowed us to better understand the principles of mechanics, such as force, motion, and energy transfer. It also encouraged us to communicate and cooperate effectivelywith our peers, as we had to collectively make decisions about the design and construction of our models.Another notable benefit of digital building blocks is their ability to cater to different learning styles. Some students may prefer a more visual or kinesthetic approach to learning, and digital building blocks provide an ideal platform for such learners. By physically manipulating the blocks, students can better grasp abstract concepts and see the tangible results of their actions. This multisensory learning experience can be particularly beneficial for students who struggle with traditional, textbased learning methods.Furthermore, the use of digital building blocks has also helped to bridge the gap between theory and practice. In my chemistry class, we used these virtual tools to simulate chemical reactions and understand the behavior of different substances under various conditions. By constructing molecular models with digital building blocks, we were able to visualize chemical bonds, molecular structures, and reaction mechanisms in a more concrete and relatable way.In addition to their educational benefits, digital building blocks also offer numerous practical advantages. They are costeffective, as they eliminate the need for physical building blocks and the associated storage and maintenance costs. They are also environmentally friendly, as they reduce the consumption of materials and resources. Moreover, digital building blocks can be easily customized and adapted to suit the specific needs and preferences of individual learners, making them a highly flexible andadaptable educational tool.Despite these numerous benefits, it is important to acknowledge that digital building blocks are not a panacea for all educational challenges. They should be used in conjunction with other teaching methods and materials to provide a wellrounded and comprehensive learning experience. Moreover, it is crucial to ensure that students have access to the necessary technology and training to effectively utilize these digital tools.In conclusion, the introduction of digital building blocks in the classroom has had a profound impact on my learning experience as a high school student. They have not only enhanced my understanding of various subjects but have also fostered creativity, collaboration, and critical thinking skills. As we continue to navigate the digital landscape, I believe that the integration of such innovative tools in education will play a pivotal role in shaping the future of learning and shaping the minds of the next generation.。

海绵拓印橙子教案

海绵拓印橙子教案Title: Sponge Printing Orange Lesson Plan。

Introduction:Sponge printing is a fun and easy art activity for kids that allows them to explore their creativity while also developing their fine motor skills. In this lesson plan, we will be using sponge printing to create colorful andvibrant orange prints. This activity is suitable forchildren of all ages and can be adapted to suit different skill levels.Objective:To introduce children to the concept of sponge printing。

To encourage creativity and experimentation with colors and textures。

To develop fine motor skills through cutting and printing with sponges。

To create a piece of artwork inspired by oranges。

Materials:Sponges。

Orange and green paint。

Paper plates。

Paper or cardstock。

Scissors。

Pencil。

Newspaper or plastic tablecloth。

Optional: aprons or old shirts to protect clothing。