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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg10-Feb-2022oxpoconazole_CONF33_gasPla Terrada, PaulaGaussian; 16; EM64L-G16RevC.01Geometry optimization MinimumRB3LYP; TD-FC6-311+G(D,P) 6-311+G(3DF,2P)-1513.8273288; Eh
thumbnail.jpeg10-Feb-2022oxpoconazole_CONF32_gasPla Terrada, PaulaGaussian; 16; EM64L-G16RevC.01Geometry optimization MinimumRB3LYP; TD-FC6-311+G(D,P) 6-311+G(3DF,2P)-1513.8277541; Eh
thumbnail.jpeg10-Feb-2022oxpoconazole_CONF379_gasPla Terrada, PaulaGaussian; 16; EM64L-G16RevC.01Geometry optimization MinimumRB3LYP; TD-FC6-311+G(D,P) 6-311+G(3DF,2P)-1513.8252897; Eh
thumbnail.jpeg10-Feb-2022oxpoconazole_CONF60_gasPla Terrada, PaulaGaussian; 16; EM64L-G16RevC.01Geometry optimization MinimumRB3LYP; TD-FC6-311+G(D,P) 6-311+G(3DF,2P)-1513.8277535; Eh
thumbnail.jpeg10-Feb-2022oxpoconazole_CONF61_gasPla Terrada, PaulaGaussian; 16; EM64L-G16RevC.01Geometry optimization MinimumRB3LYP; TD-FC6-311+G(D,P) 6-311+G(3DF,2P)-1513.8276654; Eh
thumbnail.jpeg10-Feb-2022oxpoconazole_CONF65_gasPla Terrada, PaulaGaussian; 16; EM64L-G16RevC.01Geometry optimization MinimumRB3LYP; TD-FC6-311+G(D,P) 6-311+G(3DF,2P)-1513.8266378; Eh
thumbnail.jpeg10-Feb-2022oxpoconazole_CONF66_gasPla Terrada, PaulaGaussian; 16; EM64L-G16RevC.01Geometry optimization MinimumRB3LYP; TD-FC6-311+G(D,P) 6-311+G(3DF,2P)-1513.8266382; Eh
thumbnail.jpeg10-Feb-2022oxpoconazole_CONF67_gasPla Terrada, PaulaGaussian; 16; EM64L-G16RevC.01Geometry optimization MinimumRB3LYP; TD-FC6-311+G(D,P) 6-311+G(3DF,2P)-1513.8266375; Eh
thumbnail.jpeg10-Feb-2022oxpoconazole_CONF64_gasPla Terrada, PaulaGaussian; 16; EM64L-G16RevC.01Geometry optimization MinimumRB3LYP; TD-FC6-311+G(D,P) 6-311+G(3DF,2P)-1513.8266375; Eh
thumbnail.jpeg10-Feb-2022oxpoconazole_CONF63_gasPla Terrada, PaulaGaussian; 16; EM64L-G16RevC.01Geometry optimization MinimumRB3LYP; TD-FC6-311+G(D,P) 6-311+G(3DF,2P)-1513.826639; Eh
Results 7781-7790 of 9146 (Search time: 0.015 seconds).