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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg21-Dec-2021tetraconazole_CONF148_octanolPla Terrada, PaulaGaussian; 16; EM64L-G16RevC.01Geometry optimization MinimumRB3LYP; TD-FC6-311+G(D,P) 6-311+G(3DF,2P)-2061.7667817; Eh
thumbnail.jpeg21-Dec-2021tetraconazole_CONF15_octanolPla Terrada, PaulaGaussian; 16; EM64L-G16RevC.01Geometry optimization MinimumRB3LYP; TD-FC6-311+G(D,P) 6-311+G(3DF,2P)-2061.766756; Eh
thumbnail.jpeg21-Dec-2021tetraconazole_CONF139_octanolPla Terrada, PaulaGaussian; 16; EM64L-G16RevC.01Geometry optimization MinimumRB3LYP; TD-FC6-311+G(D,P) 6-311+G(3DF,2P)-2061.7665847; Eh
thumbnail.jpeg21-Dec-2021tetraconazole_CONF207_octanolPla Terrada, PaulaGaussian; 16; EM64L-G16RevC.01Geometry optimization MinimumRB3LYP; TD-FC6-311+G(D,P) 6-311+G(3DF,2P)-2061.7674451; Eh
thumbnail.jpeg21-Dec-2021tetraconazole_CONF181_octanolPla Terrada, PaulaGaussian; 16; EM64L-G16RevC.01Geometry optimization MinimumRB3LYP; TD-FC6-311+G(D,P) 6-311+G(3DF,2P)-2061.7678007; Eh
thumbnail.jpeg21-Dec-2021tetraconazole_CONF208_octanolPla Terrada, PaulaGaussian; 16; EM64L-G16RevC.01Geometry optimization MinimumRB3LYP; TD-FC6-311+G(D,P) 6-311+G(3DF,2P)-2061.7666777; Eh
thumbnail.jpeg21-Dec-2021tetraconazole_CONF186_octanolPla Terrada, PaulaGaussian; 16; EM64L-G16RevC.01Geometry optimization MinimumRB3LYP; TD-FC6-311+G(D,P) 6-311+G(3DF,2P)-2061.7677597; Eh
thumbnail.jpeg21-Dec-2021tetraconazole_CONF191_octanolPla Terrada, PaulaGaussian; 16; EM64L-G16RevC.01Geometry optimization MinimumRB3LYP; TD-FC6-311+G(D,P) 6-311+G(3DF,2P)-2061.7671986; Eh
thumbnail.jpeg21-Dec-2021tetraconazole_CONF197_octanolPla Terrada, PaulaGaussian; 16; EM64L-G16RevC.01Geometry optimization MinimumRB3LYP; TD-FC6-311+G(D,P) 6-311+G(3DF,2P)-2061.7672466; Eh
thumbnail.jpeg21-Dec-2021tetraconazole_CONF196_octanolPla Terrada, PaulaGaussian; 16; EM64L-G16RevC.01Geometry optimization MinimumRB3LYP; TD-FC6-311+G(D,P) 6-311+G(3DF,2P)-2061.7672689; Eh
Results 6801-6810 of 11169 (Search time: 0.008 seconds).