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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg21-Dec-2021bitertanol_RS_CONF90_gasPla Terrada, PaulaGaussian; 16; EM64L-G16RevC.01Geometry optimization MinimumRB3LYP; TD-FC6-311+G(D,P) 6-311+G(3DF,2P)-1091.0840855; Eh
thumbnail.jpeg21-Dec-2021bitertanol_RS_CONF91_gasPla Terrada, PaulaGaussian; 16; EM64L-G16RevC.01Geometry optimization MinimumRB3LYP; TD-FC6-311+G(D,P) 6-311+G(3DF,2P)-1091.0840851; Eh
thumbnail.jpeg21-Dec-2021bitertanol_RS_CONF93_gasPla Terrada, PaulaGaussian; 16; EM64L-G16RevC.01Geometry optimization MinimumRB3LYP; TD-FC6-311+G(D,P) 6-311+G(3DF,2P)-1091.0839795; Eh
thumbnail.jpeg21-Dec-2021bitertanol_RS_CONF94_gasPla Terrada, PaulaGaussian; 16; EM64L-G16RevC.01Geometry optimization MinimumRB3LYP; TD-FC6-311+G(D,P) 6-311+G(3DF,2P)-1091.0840847; Eh
thumbnail.jpeg21-Dec-2021bitertanol_RS_CONF95_gasPla Terrada, PaulaGaussian; 16; EM64L-G16RevC.01Geometry optimization MinimumRB3LYP; TD-FC6-311+G(D,P) 6-311+G(3DF,2P)-1091.0839784; Eh
thumbnail.jpeg21-Dec-2021bitertanol_RS_CONF9_gasPla Terrada, PaulaGaussian; 16; EM64L-G16RevC.01Geometry optimization MinimumRB3LYP; TD-FC6-311+G(D,P) 6-311+G(3DF,2P)-1091.0860998; Eh
thumbnail.jpeg21-Dec-2021bitertanol_RS_CONF89_gasPla Terrada, PaulaGaussian; 16; EM64L-G16RevC.01Geometry optimization MinimumRB3LYP; TD-FC6-311+G(D,P) 6-311+G(3DF,2P)-1091.0840846; Eh
thumbnail.jpeg21-Dec-2021bitertanol_RS_CONF74_octanolPla Terrada, PaulaGaussian; 16; EM64L-G16RevC.01Geometry optimization MinimumRB3LYP; TD-FC6-311+G(D,P) 6-311+G(3DF,2P)-1091.1127514; Eh
thumbnail.jpeg21-Dec-2021bitertanol_RS_CONF76_octanolPla Terrada, PaulaGaussian; 16; EM64L-G16RevC.01Geometry optimization MinimumRB3LYP; TD-FC6-311+G(D,P) 6-311+G(3DF,2P)-1091.1127515; Eh
thumbnail.jpeg21-Dec-2021bitertanol_RS_CONF8_octanolPla Terrada, PaulaGaussian; 16; EM64L-G16RevC.01Geometry optimization MinimumRB3LYP; TD-FC6-311+G(D,P) 6-311+G(3DF,2P)-1091.1144914; Eh
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