资源描述：
《氯乙烷高斯程序应用》由会员上传分享，免费在线阅读，更多相关内容在工程资料-天天文库。
1、高斯程序应用1＞用HyperChem程序画分子图:OILHypYZmB7JI“■■BuM1■盯OMbewna^vr—irjlrflr「oi—mn5th*mHTMLcode©®18J回II*1UJt■■"2、设置工作环境: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、格式转化:冏打开直奠面►/收繭衰靈黨面聂吕方问的位畫三輙▼新应件夹文磁馬占chem
7、-乡Hypercube,Inc.〔—6.0.0.1库恩的科学革令模式述评AdobeAcrobatDocument285KB旨库a融EI图片国如域迅雷下我・音乐氯乙烷・ent
8、ENT文件I627字节腾汛QQ2.07KB文件名(N):氢乙烷・entAllFiles▼打开(O)▼砒4、分子构型进行优化:5.优化结果: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
