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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg20-May-2022Transition_state_–_TS10Habets, ThomasGaussian; 16; ES64L-G16RevA.03Geometry optimization TSRwB97XD6-311++G(D,P)-1041.77693742; Eh
thumbnail.jpeg20-May-2022Transition_state_–_TS11Habets, ThomasGaussian; 16; ES64L-G16RevA.03Geometry optimization TSRwB97XD6-311++G(D,P)-1100.92377227; Eh
thumbnail.jpeg20-May-2022Transition_state_–_TS5Habets, ThomasGaussian; 16; ES64L-G16RevA.03Geometry optimization TSRwB97XD6-311++G(D,P)-867.253321669; Eh
thumbnail.jpeg20-May-2022Transition_state_–_TS6Habets, ThomasGaussian; 16; ES64L-G16RevA.03Geometry optimization TSRwB97XD6-311++G(D,P)-867.234847344; Eh
thumbnail.jpeg20-May-2022Transition_state_–_TS7Habets, ThomasGaussian; 16; ES64L-G16RevA.03Geometry optimization TSRwB97XD6-311++G(D,P)-867.275100057; Eh
thumbnail.jpeg28-Apr-2020TS1Garcia Melchor, MaxGaussian; 09; EM64L-G09RevA.02Geometry optimization TSRwB97XDSDD 6-31G(D) 6-31+G(D) 6-31G(D,P) GEN-1915.49048819; Eh
thumbnail.jpeg28-Apr-2020TS2Garcia Melchor, MaxGaussian; 09; ES64L-G09RevE.01Geometry optimization TSRwB97XDSDD 6-31G(D) 6-31+G(D) 6-31G(D,P) GEN-1998.71424446; Eh
thumbnail.jpeg28-Apr-2020TS3Garcia Melchor, MaxGaussian; 09; ES64L-G09RevE.01Geometry optimization TSRwB97XDSDD 6-31G(D) 6-31+G(D) 6-31G(D,P) GEN-1916.67830272; Eh
thumbnail.jpeg28-Apr-2020TS5Garcia Melchor, MaxGaussian; 09; ES64L-G09RevE.01Geometry optimization TSRwB97XDSDD 6-31G(D) 6-31+G(D) 6-31G(D,P) GEN-1997.54407607; Eh
thumbnail.jpeg28-Apr-2020TS4Garcia Melchor, MaxGaussian; 09; ES64L-G09RevE.01Geometry optimization TSRwB97XDSDD 6-31G(D) 6-31+G(D) 6-31G(D,P) GEN-1916.68733140; Eh
Results 21-30 of 131 (Search time: 0.001 seconds).