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Showing results 210335 to 210354 of 318554 < previous   next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg22-Dec-2021bitertanol_RS_CONF16_waterPla Terrada, PaulaOrca; 4.2.1; RELEASESingle point-def2-TZVPP-1090.77530598; Eh
thumbnail.jpeg21-Dec-2021bitertanol_RS_CONF16_waterPla Terrada, PaulaGaussian; 16; EM64L-G16RevC.01Geometry optimization MinimumRB3LYP; TD-FC6-311+G(D,P) 6-311+G(3DF,2P)-1091.1037486; Eh
thumbnail.jpeg22-Dec-2021bitertanol_RS_CONF17_gasPla Terrada, PaulaOrca; 4.2.1; RELEASESingle point-def2-TZVPP-1090.75849561; Eh
thumbnail.jpeg21-Dec-2021bitertanol_RS_CONF17_gasPla Terrada, PaulaGaussian; 16; EM64L-G16RevC.01Geometry optimization MinimumRB3LYP; TD-FC6-311+G(D,P) 6-311+G(3DF,2P)-1091.0856768; Eh
thumbnail.jpeg22-Dec-2021bitertanol_RS_CONF17_octanolPla Terrada, PaulaOrca; 4.2.1; RELEASESingle point-def2-TZVPP-1090.78513571; Eh
thumbnail.jpeg21-Dec-2021bitertanol_RS_CONF17_octanolPla Terrada, PaulaGaussian; 16; EM64L-G16RevC.01Geometry optimization MinimumRB3LYP; TD-FC6-311+G(D,P) 6-311+G(3DF,2P)-1091.1125276; Eh
thumbnail.jpeg22-Dec-2021bitertanol_RS_CONF17_waterPla Terrada, PaulaOrca; 4.2.1; RELEASESingle point-def2-TZVPP-1090.77511047; Eh
thumbnail.jpeg21-Dec-2021bitertanol_RS_CONF17_waterPla Terrada, PaulaGaussian; 16; EM64L-G16RevC.01Geometry optimization MinimumRB3LYP; TD-FC6-311+G(D,P) 6-311+G(3DF,2P)-1091.1037488; Eh
thumbnail.jpeg22-Dec-2021bitertanol_RS_CONF18_gasPla Terrada, PaulaOrca; 4.2.1; RELEASESingle point-def2-TZVPP-1090.75840536; Eh
thumbnail.jpeg21-Dec-2021bitertanol_RS_CONF18_gasPla Terrada, PaulaGaussian; 16; EM64L-G16RevC.01Geometry optimization MinimumRB3LYP; TD-FC6-311+G(D,P) 6-311+G(3DF,2P)-1091.0856763; Eh
thumbnail.jpeg22-Dec-2021bitertanol_RS_CONF18_octanolPla Terrada, PaulaOrca; 4.2.1; RELEASESingle point-def2-TZVPP-1090.78531837; Eh
thumbnail.jpeg21-Dec-2021bitertanol_RS_CONF18_octanolPla Terrada, PaulaGaussian; 16; EM64L-G16RevC.01Geometry optimization MinimumRB3LYP; TD-FC6-311+G(D,P) 6-311+G(3DF,2P)-1091.1125275; Eh
thumbnail.jpeg22-Dec-2021bitertanol_RS_CONF18_waterPla Terrada, PaulaOrca; 4.2.1; RELEASESingle point-def2-TZVPP-1090.77545788; Eh
thumbnail.jpeg21-Dec-2021bitertanol_RS_CONF18_waterPla Terrada, PaulaGaussian; 16; EM64L-G16RevC.01Geometry optimization MinimumRB3LYP; TD-FC6-311+G(D,P) 6-311+G(3DF,2P)-1091.1037488; Eh
thumbnail.jpeg22-Dec-2021bitertanol_RS_CONF1_gasPla Terrada, PaulaOrca; 4.2.1; RELEASESingle point-def2-TZVPP-1090.75901596; Eh
thumbnail.jpeg21-Dec-2021bitertanol_RS_CONF1_gasPla Terrada, PaulaGaussian; 16; EM64L-G16RevC.01Geometry optimization MinimumRB3LYP; TD-FC6-311+G(D,P) 6-311+G(3DF,2P)-1091.0860777; Eh
thumbnail.jpeg22-Dec-2021bitertanol_RS_CONF1_octanolPla Terrada, PaulaOrca; 4.2.1; RELEASESingle point-def2-TZVPP-1090.78710236; Eh
thumbnail.jpeg21-Dec-2021bitertanol_RS_CONF1_octanolPla Terrada, PaulaGaussian; 16; EM64L-G16RevC.01Geometry optimization MinimumRB3LYP; TD-FC6-311+G(D,P) 6-311+G(3DF,2P)-1091.1145205; Eh
thumbnail.jpeg22-Dec-2021bitertanol_RS_CONF1_waterPla Terrada, PaulaOrca; 4.2.1; RELEASESingle point-def2-TZVPP-1090.77661333; Eh
thumbnail.jpeg21-Dec-2021bitertanol_RS_CONF1_waterPla Terrada, PaulaGaussian; 16; EM64L-G16RevC.01Geometry optimization MinimumRB3LYP; TD-FC6-311+G(D,P) 6-311+G(3DF,2P)-1091.1060866; Eh
Showing results 210335 to 210354 of 318554 < previous   next >