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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg21-Dec-2021tetraconazole_CONF44_gasPla Terrada, PaulaGaussian; 16; EM64L-G16RevC.01Geometry optimization MinimumRB3LYP; TD-FC6-311+G(D,P) 6-311+G(3DF,2P)-2061.7402796; Eh
thumbnail.jpeg21-Dec-2021tetraconazole_CONF47_gasPla Terrada, PaulaGaussian; 16; EM64L-G16RevC.01Geometry optimization MinimumRB3LYP; TD-FC6-311+G(D,P) 6-311+G(3DF,2P)-2061.7405681; Eh
thumbnail.jpeg21-Dec-2021tetraconazole_CONF46_gasPla Terrada, PaulaGaussian; 16; EM64L-G16RevC.01Geometry optimization MinimumRB3LYP; TD-FC6-311+G(D,P) 6-311+G(3DF,2P)-2061.7409835; Eh
thumbnail.jpeg21-Dec-2021tetraconazole_CONF474_gasPla Terrada, PaulaGaussian; 16; EM64L-G16RevC.01Geometry optimization MinimumRB3LYP; TD-FC6-311+G(D,P) 6-311+G(3DF,2P)-2061.7399075; Eh
thumbnail.jpeg21-Dec-2021tetraconazole_CONF45_gasPla Terrada, PaulaGaussian; 16; EM64L-G16RevC.01Geometry optimization MinimumRB3LYP; TD-FC6-311+G(D,P) 6-311+G(3DF,2P)-2061.7401178; Eh
thumbnail.jpeg21-Dec-2021tetraconazole_CONF452_gasPla Terrada, PaulaGaussian; 16; EM64L-G16RevC.01Geometry optimization MinimumRB3LYP; TD-FC6-311+G(D,P) 6-311+G(3DF,2P)-2061.7388301; Eh
thumbnail.jpeg21-Dec-2021tetraconazole_CONF612_gasPla Terrada, PaulaGaussian; 16; EM64L-G16RevC.01Geometry optimization MinimumRB3LYP; TD-FC6-311+G(D,P) 6-311+G(3DF,2P)-2061.7405035; Eh
thumbnail.jpeg21-Dec-2021tetraconazole_CONF67_gasPla Terrada, PaulaGaussian; 16; EM64L-G16RevC.01Geometry optimization MinimumRB3LYP; TD-FC6-311+G(D,P) 6-311+G(3DF,2P)-2061.7402784; Eh
thumbnail.jpeg21-Dec-2021tetraconazole_CONF660_gasPla Terrada, PaulaGaussian; 16; EM64L-G16RevC.01Geometry optimization MinimumRB3LYP; TD-FC6-311+G(D,P) 6-311+G(3DF,2P)-2061.7399034; Eh
thumbnail.jpeg21-Dec-2021tetraconazole_CONF60_gasPla Terrada, PaulaGaussian; 16; EM64L-G16RevC.01Geometry optimization MinimumRB3LYP; TD-FC6-311+G(D,P) 6-311+G(3DF,2P)-2061.7402778; Eh
Results 6771-6780 of 12337 (Search time: 0.007 seconds).