下面是Gaussian16W计算N-1的错误提示：Convergencecriterionnotmet.SCFDone:E(UB3LYP)=-2238.91833533A.U.after129cyclesNFock=128Conv=0.63D-05-V/T=2.0027<Sx=0.0000<Sy=0.0000<Sz=0.5000...

\g09w\l1.exepid=4468.copyright(c)1988,1990,1992,1993,1995,1998,2003,2009,gaussian,inc.allrightsreserved.thisispartofthegaussian(r)09program.itisbasedonthegaussian(r)03system...

Inc.andthatitwillnotusethisprograminanymannerprohibitedabove.-Citethisworkas:Gaussian16,RevisionA.03,M.J.Frisch,G.W.Trucks,H.B.Schlegel,G.E.Scuseria,M.A.Robb,J.R.Cheeseman,G....

求助gaussian16X64的linux安装包，最好是revA.03的，其他版本也可以，邮箱'522916977qq.com'，非常感谢应助者

根据文献，用Gaussian03计算Dppb跟钯的络合物时，对Pd和P用的都是相同的赝势基组lanl2DZ，计算的时候显示了这个：Warning!Patom1maybehypervalentbuthasnodfunctions.Warning!Patom2...

2013,Gaussian,Inc.AllRightsReserved.ThisispartoftheGaussian(R)09program.ItisbasedontheGaussian(R)03system(copyright2003,Gaussian,Inc.),theGaussian(R)98system(copyright1998,...

1990,1992,1993,1995,1998,2003,2009,2011,Gaussian,Inc.AllRightsReserved.ThisispartoftheGaussian(R)09program.ItisbasedontheGaussian(R)03system(copyright2003,Gaussian,Inc.),...

1990,1992,1993,1995,1998,2003,2009,2013,Gaussian,Inc.AllRightsReserved.ThisispartoftheGaussian(R)09program.ItisbasedontheGaussian(R)03system(copyright2003,Gaussian,Inc.),...

1990,1992,1993,1995,1998,2003,2009,2013,Gaussian,Inc.AllRightsReserved.ThisispartoftheGaussian(R)09program.ItisbasedontheGaussian(R)03system(copyright2003,Gaussian,Inc.),...

1990,1992,1993,1995,1998,2003,2009,2013,Gaussian,Inc.AllRightsReserved.ThisispartoftheGaussian(R)09program.ItisbasedontheGaussian(R)03system(copyright2003,Gaussian,Inc.),...

我发现要是我用Gaussian默认基组缩写在抬头写入基组信息（如#pB3LYP/aug-cc-pVTZIOp(3/24=1)IOp(5/33=1)iop1=...01-8.983000D-031.285000D-012.385000D-03S101.008.236000D+...

0.840023C01.679810-2.284610-0.736523N00.447806-1.732310-0.690823C00.386206-0.384206-0.751623C01.4994100.434494-0.855823C03....21NaNAtomstooclose.ErrorterminationviaLnk1ein/opt/...

J.B.ForesmanExploringChemistrywithElectronicStructureMethods.3rdEditionGaussian.Inc2015http://gaussian.com/expchem3/未知PDF978-1-935522-03-4

1990,1992,1993,1995,1998,2003,2009,2013,Gaussian,Inc.AllRightsReserved.ThisispartoftheGaussian(R)09program.ItisbasedontheGaussian(R)03system(copyright2003,Gaussian,Inc.),...

1990,1992,1993,1995,1998,2003,2009,2013,Gaussian,Inc.AllRightsReserved.ThisispartoftheGaussian(R)09program.ItisbasedontheGaussian(R)03system(copyright2003,Gaussian,Inc.),...

3rdeditionJ.B.ForesmanExploringChemistryWithElectronicStructureMethods,3rdeditionGaussian.Inc2015http://gaussian.com/expchem3/未知PDF且可复制978-1-935522-03-4

采用pcm优化构型，审稿人提问让给出pcm的...gaussian03软件只给出了tsare=area的默认值0.2，但没有给出tsnum的默认值，网上一些资料提到tsnum默认是60，不知是否如此？非常感谢帮助！

J.B.ForesmanExploringChemistryWithElectronicStructureMethods,3rdeditionGaussian.Inc2015http://gaussian.com/expchem3/未知PDF且可复制978-1-935522-03-4

ExploringChemistryWithElectronicStructureMethods(第三版)求助，...J.B.ForesmanExploringChemistryWithElectronicStructureMethods(第三版)Gaussian.Inc2015未知格式不限978-1-935522-03-4

J.B.ForesmanExploringChemistryWithElectronicStructureMethods(第三版)Gaussian.Inc2015未知格式不限978-1-935522-03-4

Version=1.000Date=04/15/19Time=03:13:44NATOM=29NTYPES=9NBONH=14MBONA...教程地址：'http://sf.anu.edu.au/collaborations/amber_on_fujitsu/amber-12/tutorial/amber-gaussian/index.html'

J.B.ForesmanExploringChemistryWithElectronicStructureMethodsGaussian.Inc2015http://gaussian.com/expchem3/未知PDF且可复制978-1-935522-03-4

再求...J.B.ForesmanExploringChemistryWithElectronicStructureMethods3rdEditionGaussian.Inc2015http://gaussian.com/expchem3/未知PDF且可复制978-1-935522-03-4

求助...J.B.ForesmanExploringChemistryWithElectronicStructureMethodsGaussian.Inc2015http://gaussian.com/expchem3/未知PDF且可复制978-1-935522-03-4

这会有一个数量级的改善.GULP现在已包含在MaterialsStudio软件包中.GAUSSVIEW'http://www.gaussian.com/'GaussView是Gaussian的图形用户界面,用于观察分子,...模拟基态和激发态.Gaussian03还...