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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg17-Dec-2021triadimenol_RS_CONF19_waterPla Terrada, PaulaGaussian; 16; EM64L-G16RevC.01Geometry optimization MinimumRB3LYP; TD-FC6-311+G(D,P) 6-311+G(3DF,2P)-1319.592136; Eh
thumbnail.jpeg17-Dec-2021triticonazole_E_CONF14_gasPla Terrada, PaulaGaussian; 16; EM64L-G16RevC.01Geometry optimization MinimumRB3LYP; TD-FC6-311+G(D,P) 6-311+G(3DF,2P)-1359.8808609; Eh
thumbnail.jpeg17-Dec-2021triticonazole_E_CONF11_gasPla Terrada, PaulaGaussian; 16; EM64L-G16RevC.01Geometry optimization MinimumRB3LYP; TD-FC6-311+G(D,P) 6-311+G(3DF,2P)-1359.8808604; Eh
thumbnail.jpeg17-Dec-2021triticonazole_E_CONF31_gasPla Terrada, PaulaGaussian; 16; EM64L-G16RevC.01Geometry optimization MinimumRB3LYP; TD-FC6-311+G(D,P) 6-311+G(3DF,2P)-1359.8808609; Eh
thumbnail.jpeg17-Dec-2021triticonazole_E_CONF35_gasPla Terrada, PaulaGaussian; 16; EM64L-G16RevC.01Geometry optimization MinimumRB3LYP; TD-FC6-311+G(D,P) 6-311+G(3DF,2P)-1359.8808612; Eh
thumbnail.jpeg17-Dec-2021triticonazole_E_CONF12_gasPla Terrada, PaulaGaussian; 16; EM64L-G16RevC.01Geometry optimization MinimumRB3LYP; TD-FC6-311+G(D,P) 6-311+G(3DF,2P)-1359.8808606; Eh
thumbnail.jpeg17-Dec-2021triticonazole_E_CONF8_gasPla Terrada, PaulaGaussian; 16; EM64L-G16RevC.01Geometry optimization MinimumRB3LYP; TD-FC6-311+G(D,P) 6-311+G(3DF,2P)-1359.8808608; Eh
thumbnail.jpeg17-Dec-2021triticonazole_E_CONF13_gasPla Terrada, PaulaGaussian; 16; EM64L-G16RevC.01Geometry optimization MinimumRB3LYP; TD-FC6-311+G(D,P) 6-311+G(3DF,2P)-1359.8808607; Eh
thumbnail.jpeg17-Dec-2021triticonazole_E_CONF2_gasPla Terrada, PaulaGaussian; 16; EM64L-G16RevC.01Geometry optimization MinimumRB3LYP; TD-FC6-311+G(D,P) 6-311+G(3DF,2P)-1359.8844756; Eh
thumbnail.jpeg17-Dec-2021triticonazole_E_CONF9_gasPla Terrada, PaulaGaussian; 16; EM64L-G16RevC.01Geometry optimization MinimumRB3LYP; TD-FC6-311+G(D,P) 6-311+G(3DF,2P)-1359.8808605; Eh
Results 6731-6740 of 12290 (Search time: 0.004 seconds).