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Showing results 210255 to 210274 of 317914 < previous   next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg21-Dec-2021bitertanol_RS_CONF11_gasPla Terrada, PaulaGaussian; 16; EM64L-G16RevC.01Geometry optimization MinimumRB3LYP; TD-FC6-311+G(D,P) 6-311+G(3DF,2P)-1091.0856641; Eh
thumbnail.jpeg22-Dec-2021bitertanol_RS_CONF11_octanolPla Terrada, PaulaOrca; 4.2.1; RELEASESingle point-def2-TZVPP-1090.78528157; Eh
thumbnail.jpeg21-Dec-2021bitertanol_RS_CONF11_octanolPla Terrada, PaulaGaussian; 16; EM64L-G16RevC.01Geometry optimization MinimumRB3LYP; TD-FC6-311+G(D,P) 6-311+G(3DF,2P)-1091.1124922; Eh
thumbnail.jpeg22-Dec-2021bitertanol_RS_CONF11_waterPla Terrada, PaulaOrca; 4.2.1; RELEASESingle point-def2-TZVPP-1090.77542596; Eh
thumbnail.jpeg21-Dec-2021bitertanol_RS_CONF11_waterPla Terrada, PaulaGaussian; 16; EM64L-G16RevC.01Geometry optimization MinimumRB3LYP; TD-FC6-311+G(D,P) 6-311+G(3DF,2P)-1091.1037541; Eh
thumbnail.jpeg22-Dec-2021bitertanol_RS_CONF12_gasPla Terrada, PaulaOrca; 4.2.1; RELEASESingle point-def2-TZVPP-1090.75848845; Eh
thumbnail.jpeg21-Dec-2021bitertanol_RS_CONF12_gasPla Terrada, PaulaGaussian; 16; EM64L-G16RevC.01Geometry optimization MinimumRB3LYP; TD-FC6-311+G(D,P) 6-311+G(3DF,2P)-1091.0856755; Eh
thumbnail.jpeg22-Dec-2021bitertanol_RS_CONF12_octanolPla Terrada, PaulaOrca; 4.2.1; RELEASESingle point-def2-TZVPP-1090.78552463; Eh
thumbnail.jpeg21-Dec-2021bitertanol_RS_CONF12_octanolPla Terrada, PaulaGaussian; 16; EM64L-G16RevC.01Geometry optimization MinimumRB3LYP; TD-FC6-311+G(D,P) 6-311+G(3DF,2P)-1091.1125274; Eh
thumbnail.jpeg22-Dec-2021bitertanol_RS_CONF12_waterPla Terrada, PaulaOrca; 4.2.1; RELEASESingle point-def2-TZVPP-1090.77546292; Eh
thumbnail.jpeg21-Dec-2021bitertanol_RS_CONF12_waterPla Terrada, PaulaGaussian; 16; EM64L-G16RevC.01Geometry optimization MinimumRB3LYP; TD-FC6-311+G(D,P) 6-311+G(3DF,2P)-1091.1037485; Eh
thumbnail.jpeg22-Dec-2021bitertanol_RS_CONF13_gasPla Terrada, PaulaOrca; 4.2.1; RELEASESingle point-def2-TZVPP-1090.75847399; Eh
thumbnail.jpeg21-Dec-2021bitertanol_RS_CONF13_gasPla Terrada, PaulaGaussian; 16; EM64L-G16RevC.01Geometry optimization MinimumRB3LYP; TD-FC6-311+G(D,P) 6-311+G(3DF,2P)-1091.0856757; Eh
thumbnail.jpeg22-Dec-2021bitertanol_RS_CONF13_octanolPla Terrada, PaulaOrca; 4.2.1; RELEASESingle point-def2-TZVPP-1090.78570041; Eh
thumbnail.jpeg21-Dec-2021bitertanol_RS_CONF13_octanolPla Terrada, PaulaGaussian; 16; EM64L-G16RevC.01Geometry optimization MinimumRB3LYP; TD-FC6-311+G(D,P) 6-311+G(3DF,2P)-1091.1125282; Eh
thumbnail.jpeg22-Dec-2021bitertanol_RS_CONF13_waterPla Terrada, PaulaOrca; 4.2.1; RELEASESingle point-def2-TZVPP-1090.77531997; Eh
thumbnail.jpeg21-Dec-2021bitertanol_RS_CONF13_waterPla Terrada, PaulaGaussian; 16; EM64L-G16RevC.01Geometry optimization MinimumRB3LYP; TD-FC6-311+G(D,P) 6-311+G(3DF,2P)-1091.1037477; Eh
thumbnail.jpeg22-Dec-2021bitertanol_RS_CONF14_gasPla Terrada, PaulaOrca; 4.2.1; RELEASESingle point-def2-TZVPP-1090.75847310; Eh
thumbnail.jpeg21-Dec-2021bitertanol_RS_CONF14_gasPla Terrada, PaulaGaussian; 16; EM64L-G16RevC.01Geometry optimization MinimumRB3LYP; TD-FC6-311+G(D,P) 6-311+G(3DF,2P)-1091.0856767; Eh
thumbnail.jpeg22-Dec-2021bitertanol_RS_CONF14_octanolPla Terrada, PaulaOrca; 4.2.1; RELEASESingle point-def2-TZVPP-1090.78554503; Eh
Showing results 210255 to 210274 of 317914 < previous   next >