Browsing by Title

Jump to: 0-9 A B C D E F G H I J K L M N O P Q R S T U V W X Y Z
or enter first few letters:  
Showing results 196149 to 196168 of 197638 < previous   next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg24-Jun-2019N-methylacetanilide-cisArtus Suarez, LluisGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM066-31+G** GEN-479.258201116; Eh
thumbnail.jpeg24-Jun-2019N-methylacetanilide-transArtus Suarez, LluisGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM066-31+G** GEN-439.965178533; Eh
thumbnail.jpeg24-Jun-2019N-methylanilineArtus Suarez, LluisGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM066-31+G** GEN-326.680166980; Eh
thumbnail.jpeg24-Jun-2019N-methylformanilide-cisArtus Suarez, LluisGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM066-31+G** GEN-439.968611501; Eh
thumbnail.jpeg24-Jun-2019N-methylformanilide-transArtus Suarez, LluisGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM066-31+G** GEN-439.965178533; Eh
thumbnail.jpeg6-Mar-2021N-TS0-1Yin, FangqianGaussian; 09; ES64L-G09RevD.01Geometry optimization TSUM06L6-31G* GENECP-1494.24935431; Eh
thumbnail.jpeg6-Mar-2021N-TS0-1-H2Yin, FangqianGaussian; 09; ES64L-G09RevD.01Geometry optimization TSUM06L6-31G* GENECP-1495.43281357; Eh
thumbnail.jpeg6-Mar-2021N-TS0-2Yin, FangqianGaussian; 09; ES64L-G09RevD.01Geometry optimization TSUM06L6-31G* GENECP-1494.24863584; Eh
thumbnail.jpeg6-Mar-2021N-TS0_-3-H2Yin, FangqianGaussian; 09; ES64L-G09RevD.01Geometry optimization TSUM06L6-31G* GENECP-1495.42693486; Eh
thumbnail.jpeg6-Mar-2021N-TS0_-5-H2Yin, FangqianGaussian; 09; ES64L-G09RevD.01Geometry optimization TSUM06L6-31G* GENECP-1495.42576678; Eh
thumbnail.jpeg6-Mar-2021N-TS1_-2-H2Yin, FangqianGaussian; 09; ES64L-G09RevD.01Geometry optimization TSUM06L6-31G* GENECP-1495.44311440; Eh
thumbnail.jpeg6-Mar-2021N-TS2-3Yin, FangqianGaussian; 09; ES64L-G09RevD.01Geometry optimization TSUM06L6-31G* GENECP-1494.22677181; Eh
thumbnail.jpeg6-Mar-2021N-TS3-4-H2Yin, FangqianGaussian; 09; ES64L-G09RevD.01Geometry optimization TSUM06L6-31G* GENECP-1495.40023121; Eh
thumbnail.jpeg6-Mar-2021N0Yin, FangqianGaussian; 09; ES64L-G09RevD.01Geometry optimization MinimumUM06L6-31G* GENECP-1494.27723262; Eh
thumbnail.jpeg6-Mar-2021N0-H2Yin, FangqianGaussian; 09; ES64L-G09RevD.01Geometry optimization MinimumUM06L6-31G* GENECP-1495.44940369; Eh
thumbnail.jpeg6-Mar-2021N0_-H2Yin, FangqianGaussian; 09; ES64L-G09RevD.01Geometry optimization MinimumUM06L6-31G* GENECP-1495.45321742; Eh
thumbnail.jpeg6-Mar-2021N1Yin, FangqianGaussian; 09; ES64L-G09RevD.01Geometry optimization MinimumUM06L6-31G* GENECP-1494.28967801; Eh
thumbnail.jpeg16-Mar-2021N1+_cS_SVPSchön, FlorianGaussian; 16; ES64L-G16RevB.01Single point StructureRTPSShDEF2SVP-
thumbnail.jpeg16-Mar-2021N1+_T_SVPSchön, FlorianGaussian; 16; ES64L-G16RevB.01Single point StructureUTPSShDEF2SVP-
thumbnail.jpeg16-Mar-2021N1+_T_TZVPSchön, FlorianGaussian; 16; ES64L-G16RevB.01Single point StructureUTPSShDEF2TZVP-