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1、高斯程序應(yīng)用1＞用HyperChem程序畫分子圖:OILHypYZmB7JI“■■BuM1■盯OMbewna^vr—irjlrflr「oi—mn5th*mHTMLcode??18J回II*1UJt■■"2、設(shè)置工作環(huán)境:FileProcessUtilitiesViewHelpnnnnoo回GGaussian94Revision-E.lPfocijjing:OutputFile:NOTEPAD.EXEASCIIEditor：BINPath：[F:G94WScratchPath：
2、F:G94WSCRATCHOutputPath：
3、c：cxh2
4、0(Hlhjk20(HtestInputPath:
5、c：cxh2001lhjx-2001testPDBViewer：
6、OkCancel3、格式轉(zhuǎn)化:冏打開直奠面?/收繭衰靈黨面聶呂方問的位畫三輙▼新應(yīng)件夾文磁馬占chem
7、-鄉(xiāng)Hypercube,Inc.〔—6.0.0.1庫恩的科學(xué)革令模式述評AdobeAcrobatDocument285KB旨庫a融EI圖片國如域迅雷下我?音樂氯乙烷?ent
8、ENT文件I627字節(jié)騰汛QQ2.07KB文件名(N):氫乙烷?entAllFiles▼打開(O)▼砒4、分子構(gòu)型進(jìn)行優(yōu)化:5.優(yōu)化結(jié)果:Ente
9、ringLink1=F:G94VIl.exePID=1808.Copyright(c)198&1990.1992,1993,1995Gaussian,Inc.AllKightsReserved.ThisispartoftheGaussian94(TM)systemofprograms.ItisbasedonthetheGaussian92(TM)system(copyright1992Gaussian,Inc.),theGaussian90(TM)system(copyright1990Gaussian,Inc.),theGaussian8
10、8(TM)system(copyright1988Gaussian,Inc.)9theGaussian86(TM)system(copyright1986CarnegieMellonUniversity),andtheGaussian82(TM)system(copyright1983CarnegieMellonUniversity).GaussianisafederallyregisteredtrademarkofGaussian*Inc.Thissoftwareisprovidedunderwrittenlicenseandmaybeused
11、,copied,transmitted,orstoredonlyinaccordwiththatwrittenlicense.ThefollowinglegendisapplicableonlytoUSGovernmentcontractsunderDEARS:RESTRICTEDRIGHTSLEGENDUse.duplicationordisclosurebytheUSGovernmentissubjecttorestrictionsassetforthinsubparagraph(c)(l)(ii)oftheRightsinTechnical
12、DataandComputerSoftwareclauseatDFARS252.227-7013.Gaussian,Inc.CarnegieOfficePark,Building6、Pittsburgh,PA15106USAThefollowinglegendisapplicableonlytoUSGovernmentcontractsunderFAR:RESTRICTEDRIGHTSLEGENDUse,reproductionanddisclosurebytheUSGovernmentissubjecttorestrictionsassetfo
13、rthinsubparagraph(c)oftheCommercialComputerSoftware-RestrictedRightsclauseatFAR52.227-19.Gaussian,Inc.CarnegieOfficePark,Building6,Pittsburgh,PA15106USAWarning—ThisprogrammaynotbeusedinanymannerthatcompeteswiththebusinessofGaussian,Inc.orwillprovideassistancetoanycompetitorof
14、Gaussian.Inc.Thelicenseeofthisprogramisprohibitedfromgivinganycompet
