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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg7-Jul-2020TS6tBesora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSUB3LYP6-31G* SDD GENECP-10894.1303108; Eh
thumbnail.jpeg7-Jul-2020TS7sBesora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB3LYP6-31G* SDD GENECP-10894.2308521; Eh
thumbnail.jpeg7-Jul-2020R2Besora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31G* GENECP-347.732015551; Eh
thumbnail.jpeg7-Jul-2020NTs_tripBesora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB3LYP6-31G* GENECP-874.183417106; Eh
thumbnail.jpeg7-Jul-2020NTsBesora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31G* GENECP-874.159159797; Eh
thumbnail.jpeg7-Jul-2020HI1ctBesora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB3LYP6-31G* SDD GENECP-9867.38211325; Eh
thumbnail.jpeg7-Jul-2020P3Besora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31G* GENECP-1222.04855705; Eh
thumbnail.jpeg7-Jul-2020HI2btBesora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB3LYP6-31G* SDD GENECP-9867.39201128; Eh
thumbnail.jpeg7-Jul-2020R1tBesora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB3LYP6-31G* SDD GENECP-9672.05725859; Eh
thumbnail.jpeg7-Jul-2020R1sBesora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31G* SDD GENECP-9672.05337563; Eh
Results 1-10 of 68 (Search time: 0.001 seconds).