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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg7-Jul-2020HI2atBesora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB3LYP6-31G* SDD GENECP-9867.39741685; Eh
thumbnail.jpeg7-Jul-2020MECP1s_bBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31G* SDD GENECP-10019.8226680; Eh
thumbnail.jpeg7-Jul-2020HMECP1ctBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP6-31G* SDD GENECP-9867.43466793; Eh
thumbnail.jpeg7-Jul-2020HMECP0ctBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP6-31G* SDD GENECP-9867.35825168; Eh
thumbnail.jpeg7-Jul-2020HMECP1csBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31G* SDD GENECP-9867.43467390; Eh
thumbnail.jpeg7-Jul-2020TS1bBesora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSUB3LYP6-31G* SDD GENECP-10019.8049672; Eh
thumbnail.jpeg7-Jul-2020MECP1sBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31G* SDD GENECP-10019.8806809; Eh
thumbnail.jpeg7-Jul-2020P1Besora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31G* GENECP-1222.03856755; Eh
thumbnail.jpeg7-Jul-2020TS1aBesora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSUB3LYP6-31G* SDD GENECP-10019.7996119; Eh
thumbnail.jpeg7-Jul-2020HI2bsBesora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31G* SDD GENECP-9867.47720105; Eh
Results 21-30 of 68 (Search time: 0.001 seconds).