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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg7-Jul-2020I2s_bBesora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31G* SDD GENECP-10019.9113432; Eh
thumbnail.jpeg7-Jul-2020HMECP1asBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31G* SDD GENECP-9867.38949994; Eh
thumbnail.jpeg7-Jul-2020I2sBesora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31G* SDD GENECP-10019.8931345; Eh
thumbnail.jpeg7-Jul-2020MECP1sBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31G* SDD GENECP-10019.8806809; Eh
thumbnail.jpeg7-Jul-2020TpAgBesora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31G* SDD GENECP-8797.82295083; Eh
thumbnail.jpeg7-Jul-2020P3Besora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31G* GENECP-1222.04855705; Eh
thumbnail.jpeg7-Jul-2020NTsBesora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31G* GENECP-874.159159797; Eh
thumbnail.jpeg7-Jul-2020HMECP1csBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31G* SDD GENECP-9867.43467390; Eh
thumbnail.jpeg7-Jul-2020HMECP0csBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31G* SDD GENECP-9867.35824714; Eh
thumbnail.jpeg7-Jul-2020P1Besora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31G* GENECP-1222.03856755; Eh
Results 1-10 of 35 (Search time: 0.001 seconds).