资源描述：
《甲醇高斯程序应用》由会员上传分享，免费在线阅读，更多相关内容在学术论文-天天文库。
1、甲醇分子高斯程序应用用HyperChem程序画分子图转化保存格式进行优化进行单点计算进行振动分析进行核磁分析计算结果输出：优化结果EnteringLink1=C:E盘学习G94W_1G94Wl1.exePID=4736.Copyright(c)1988,1990,1992,1993,1995Gaussian,Inc.AllRightsReserved.ThisispartoftheGaussian94(TM)systemofprograms.ItisbasedonthetheGaussian92(TM)system(
2、copyright1992Gaussian,Inc.),theGaussian90(TM)system(copyright1990Gaussian,Inc.),theGaussian88(TM)system(copyright1988Gaussian,Inc.),theGaussian86(TM)system(copyright1986CarnegieMellonUniversity),andtheGaussian82(TM)system(copyright1983CarnegieMellonUniversity).Gaus
3、sianisafederallyregisteredtrademarkofGaussian,Inc.Thissoftwareisprovidedunderwrittenlicenseandmaybeused,copied,transmitted,orstoredonlyinaccordwiththatwrittenlicense.ThefollowinglegendisapplicableonlytoUSGovernmentcontractsunderDFARS:RESTRICTEDRIGHTSLEGENDUse,dupli
4、cationordisclosurebytheUSGovernmentissubjecttorestrictionsassetforthinsubparagraph(c)(1)(ii)oftheRightsinTechnicalDataandComputerSoftwareclauseatDFARS252.227-7013.Gaussian,Inc.CarnegieOfficePark,Building6,Pittsburgh,PA15106USAThefollowinglegendisapplicableonlytoUSG
5、overnmentcontractsunderFAR:RESTRICTEDRIGHTSLEGENDUse,reproductionanddisclosurebytheUSGovernmentissubjecttorestrictionsassetforthinsubparagraph(c)oftheCommercialComputerSoftware-RestrictedRightsclauseatFAR52.227-19.Gaussian,Inc.CarnegieOfficePark,Building6,Pittsburg
6、h,PA15106USA---------------------------------------------------------------Warning--ThisprogrammaynotbeusedinanymannerthatcompeteswiththebusinessofGaussian,Inc.orwillprovideassistancetoanycompetitorofGaussian,Inc.Thelicenseeofthisprogramisprohibitedfromgivinganycom
7、petitorofGaussian,Inc.accesstothisprogram.Byusingthisprogram,theuseracknowledgesthatGaussian,Inc.isengagedinthebusinessofcreatingandlicensingsoftwareinthefieldofcomputationalchemistryandrepresentsandwarrantstothelicenseethatitisnotacompetitorofGaussian,Inc.andthati
8、twillnotusethisprograminanymannerprohibitedabove.---------------------------------------------------------------Citethisworkas:Gaussian94,Revisio
