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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg7-Jul-2020MECP2tBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP6-31G* SDD GENECP-10894.2101861; Eh
thumbnail.jpeg7-Jul-2020TS1cBesora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSUB3LYP6-31G* SDD GENECP-10019.8133457; Eh
thumbnail.jpeg7-Jul-2020I1t_bBesora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSUB3LYP6-31G* SDD GENECP-10019.8200935; Eh
thumbnail.jpeg7-Jul-2020I1t_aBesora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSUB3LYP6-31G* SDD GENECP-10019.8107260; Eh
thumbnail.jpeg7-Jul-2020I1tBesora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB3LYP6-31G* SDD GENECP-10019.8168520; Eh
thumbnail.jpeg7-Jul-2020I2t_aBesora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB3LYP6-31G* SDD GENECP-10019.8215343; Eh
thumbnail.jpeg7-Jul-2020I2t_bBesora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB3LYP6-31G* SDD GENECP-10019.8316304; Eh
thumbnail.jpeg7-Jul-2020I6tBesora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB3LYP6-31G* SDD GENECP-10894.1425733; Eh
thumbnail.jpeg7-Jul-2020I2tBesora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB3LYP6-31G* SDD GENECP-10019.8811547; Eh
Results 521-529 of 529 (Search time: 0.001 seconds).