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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required8-Sep-2022bixafen_CONF17_octanolPulgar Rubio, AntonioGaussian; 16; EM64L-G16RevC.01Geometry optimization MinimumRB3LYP; TD-FC6-311+G(D,P) 6-311+G(3DF,2P)-2153.101081; Eh
Login required8-Sep-2022bixafen_CONF9_gasPulgar Rubio, AntonioGaussian; 16; EM64L-G16RevC.01Geometry optimization MinimumRB3LYP; TD-FC6-311+G(D,P) 6-311+G(3DF,2P)-2153.0760629; Eh
Login required8-Jun-2022/td_DFT 4x4-3L-ABAMu, MantingGaussian; 09; ES64L-G09RevE.01Single point StructureRwB97XD; TD-FC6-31G(D,P) GEN-5518.9928939; Eh
Login required8-Jun-2022/td_DFT 4x4-4L-ABABMu, MantingGaussian; 09; ES64L-G09RevE.01Single point StructureRwB97XD; TD-FC6-31G(D,P) GEN-7358.6949552; Eh
Login required8-Sep-2022boscalid_CONF9_octanolPulgar Rubio, AntonioGaussian; 16; EM64L-G16RevC.01Geometry optimization MinimumRB3LYP; TD-FC6-311+G(D,P) 6-311+G(3DF,2P)-1798.6962173; Eh
Login required8-Sep-2022boscalid_CONF2_octanolPulgar Rubio, AntonioGaussian; 16; EM64L-G16RevC.01Geometry optimization MinimumRB3LYP; TD-FC6-311+G(D,P) 6-311+G(3DF,2P)-1798.6973761; Eh
Login required8-Sep-2022boscalid_CONF8_octanolPulgar Rubio, AntonioGaussian; 16; EM64L-G16RevC.01Geometry optimization MinimumRB3LYP; TD-FC6-311+G(D,P) 6-311+G(3DF,2P)-1798.6968599; Eh
Login required8-Sep-2022boscalid_CONF14_waterPulgar Rubio, AntonioGaussian; 16; EM64L-G16RevC.01Geometry optimization MinimumRB3LYP; TD-FC6-311+G(D,P) 6-311+G(3DF,2P)-1798.6909369; Eh
Login required8-Sep-2022boscalid_CONF8_waterPulgar Rubio, AntonioGaussian; 16; EM64L-G16RevC.01Geometry optimization MinimumRB3LYP; TD-FC6-311+G(D,P) 6-311+G(3DF,2P)-1798.6903091; Eh
Login required8-Sep-2022boscalid_CONF1_waterPulgar Rubio, AntonioGaussian; 16; EM64L-G16RevC.01Geometry optimization MinimumRB3LYP; TD-FC6-311+G(D,P) 6-311+G(3DF,2P)-1798.6925922; Eh
Results 11-20 of 8166 (Search time: 0.001 seconds).