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Showing results 210295 to 210314 of 317789 < previous   next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
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
thumbnail.jpeg22-Dec-2021bitertanol_RS_CONF2_gasPla Terrada, PaulaOrca; 4.2.1; RELEASESingle point-def2-TZVPP-1090.75899506; Eh
thumbnail.jpeg21-Dec-2021bitertanol_RS_CONF2_gasPla Terrada, PaulaGaussian; 16; EM64L-G16RevC.01Geometry optimization MinimumRB3LYP; TD-FC6-311+G(D,P) 6-311+G(3DF,2P)-1091.0860779; Eh
thumbnail.jpeg22-Dec-2021bitertanol_RS_CONF2_octanolPla Terrada, PaulaOrca; 4.2.1; RELEASESingle point-def2-TZVPP-1090.78701003; Eh
thumbnail.jpeg21-Dec-2021bitertanol_RS_CONF2_octanolPla Terrada, PaulaGaussian; 16; EM64L-G16RevC.01Geometry optimization MinimumRB3LYP; TD-FC6-311+G(D,P) 6-311+G(3DF,2P)-1091.1145204; Eh
thumbnail.jpeg22-Dec-2021bitertanol_RS_CONF2_waterPla Terrada, PaulaOrca; 4.2.1; RELEASESingle point-def2-TZVPP-1090.77654968; Eh
thumbnail.jpeg21-Dec-2021bitertanol_RS_CONF2_waterPla Terrada, PaulaGaussian; 16; EM64L-G16RevC.01Geometry optimization MinimumRB3LYP; TD-FC6-311+G(D,P) 6-311+G(3DF,2P)-1091.1060866; Eh
thumbnail.jpeg22-Dec-2021bitertanol_RS_CONF35_waterPla Terrada, PaulaOrca; 4.2.1; RELEASESingle point-def2-TZVPP-1090.77441972; Eh
thumbnail.jpeg21-Dec-2021bitertanol_RS_CONF35_waterPla Terrada, PaulaGaussian; 16; EM64L-G16RevC.01Geometry optimization MinimumRB3LYP; TD-FC6-311+G(D,P) 6-311+G(3DF,2P)-1091.1038089; Eh
thumbnail.jpeg22-Dec-2021bitertanol_RS_CONF36_waterPla Terrada, PaulaOrca; 4.2.1; RELEASESingle point-def2-TZVPP-1090.77432522; Eh
thumbnail.jpeg21-Dec-2021bitertanol_RS_CONF36_waterPla Terrada, PaulaGaussian; 16; EM64L-G16RevC.01Geometry optimization MinimumRB3LYP; TD-FC6-311+G(D,P) 6-311+G(3DF,2P)-1091.1038092; Eh
thumbnail.jpeg22-Dec-2021bitertanol_RS_CONF37_waterPla Terrada, PaulaOrca; 4.2.1; RELEASESingle point-def2-TZVPP-1090.77451451; Eh
thumbnail.jpeg21-Dec-2021bitertanol_RS_CONF37_waterPla Terrada, PaulaGaussian; 16; EM64L-G16RevC.01Geometry optimization MinimumRB3LYP; TD-FC6-311+G(D,P) 6-311+G(3DF,2P)-1091.1038087; Eh
thumbnail.jpeg22-Dec-2021bitertanol_RS_CONF38_waterPla Terrada, PaulaOrca; 4.2.1; RELEASESingle point-def2-TZVPP-1090.77335529; Eh
thumbnail.jpeg22-Dec-2021bitertanol_RS_CONF39_waterPla Terrada, PaulaOrca; 4.2.1; RELEASESingle point-def2-TZVPP-1090.77321216; Eh
thumbnail.jpeg22-Dec-2021bitertanol_RS_CONF3_gasPla Terrada, PaulaOrca; 4.2.1; RELEASESingle point-def2-TZVPP-1090.75908178; Eh
thumbnail.jpeg21-Dec-2021bitertanol_RS_CONF3_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_CONF3_octanolPla Terrada, PaulaOrca; 4.2.1; RELEASESingle point-def2-TZVPP-1090.78698852; Eh
thumbnail.jpeg21-Dec-2021bitertanol_RS_CONF3_octanolPla Terrada, PaulaGaussian; 16; EM64L-G16RevC.01Geometry optimization MinimumRB3LYP; TD-FC6-311+G(D,P) 6-311+G(3DF,2P)-1091.1145197; Eh
thumbnail.jpeg22-Dec-2021bitertanol_RS_CONF3_waterPla Terrada, PaulaOrca; 4.2.1; RELEASESingle point-def2-TZVPP-1090.77661198; Eh
Showing results 210295 to 210314 of 317789 < previous   next >