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Showing results 210315 to 210334 of 317984 < previous   next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg22-Dec-2021bitertanol_RS_CONF14_octanolPla Terrada, PaulaOrca; 4.2.1; RELEASESingle point-def2-TZVPP-1090.78554503; Eh
thumbnail.jpeg21-Dec-2021bitertanol_RS_CONF14_octanolPla Terrada, PaulaGaussian; 16; EM64L-G16RevC.01Geometry optimization MinimumRB3LYP; TD-FC6-311+G(D,P) 6-311+G(3DF,2P)-1091.1125281; Eh
thumbnail.jpeg22-Dec-2021bitertanol_RS_CONF14_waterPla Terrada, PaulaOrca; 4.2.1; RELEASESingle point-def2-TZVPP-1090.77563670; Eh
thumbnail.jpeg21-Dec-2021bitertanol_RS_CONF14_waterPla Terrada, PaulaGaussian; 16; EM64L-G16RevC.01Geometry optimization MinimumRB3LYP; TD-FC6-311+G(D,P) 6-311+G(3DF,2P)-1091.1037487; Eh
thumbnail.jpeg22-Dec-2021bitertanol_RS_CONF15_gasPla Terrada, PaulaOrca; 4.2.1; RELEASESingle point-def2-TZVPP-1090.75843248; Eh
thumbnail.jpeg21-Dec-2021bitertanol_RS_CONF15_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_CONF15_octanolPla Terrada, PaulaOrca; 4.2.1; RELEASESingle point-def2-TZVPP-1090.78554056; Eh
thumbnail.jpeg21-Dec-2021bitertanol_RS_CONF15_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_CONF15_waterPla Terrada, PaulaOrca; 4.2.1; RELEASESingle point-def2-TZVPP-1090.77542862; Eh
thumbnail.jpeg21-Dec-2021bitertanol_RS_CONF15_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_CONF16_gasPla Terrada, PaulaOrca; 4.2.1; RELEASESingle point-def2-TZVPP-1090.75844304; Eh
thumbnail.jpeg21-Dec-2021bitertanol_RS_CONF16_gasPla Terrada, PaulaGaussian; 16; EM64L-G16RevC.01Geometry optimization MinimumRB3LYP; TD-FC6-311+G(D,P) 6-311+G(3DF,2P)-1091.0856765; Eh
thumbnail.jpeg22-Dec-2021bitertanol_RS_CONF16_octanolPla Terrada, PaulaOrca; 4.2.1; RELEASESingle point-def2-TZVPP-1090.78497895; Eh
thumbnail.jpeg21-Dec-2021bitertanol_RS_CONF16_octanolPla Terrada, PaulaGaussian; 16; EM64L-G16RevC.01Geometry optimization MinimumRB3LYP; TD-FC6-311+G(D,P) 6-311+G(3DF,2P)-1091.1125281; Eh
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
Showing results 210315 to 210334 of 317984 < previous   next >