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Showing results 210275 to 210294 of 317984 < previous   next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg21-Dec-2021bitertanol_RR_CONF92_octanolPla Terrada, PaulaGaussian; 16; EM64L-G16RevC.01Geometry optimization MinimumRB3LYP; TD-FC6-311+G(D,P) 6-311+G(3DF,2P)-1091.1114619; Eh
thumbnail.jpeg22-Dec-2021bitertanol_RR_CONF92_waterPla Terrada, PaulaOrca; 4.2.1; RELEASESingle point-def2-TZVPP-1090.77481296; Eh
thumbnail.jpeg21-Dec-2021bitertanol_RR_CONF92_waterPla Terrada, PaulaGaussian; 16; EM64L-G16RevC.01Geometry optimization MinimumRB3LYP; TD-FC6-311+G(D,P) 6-311+G(3DF,2P)-1091.1037161; Eh
thumbnail.jpeg22-Dec-2021bitertanol_RR_CONF93_octanolPla Terrada, PaulaOrca; 4.2.1; RELEASESingle point-def2-TZVPP-1090.78424655; Eh
thumbnail.jpeg21-Dec-2021bitertanol_RR_CONF93_octanolPla Terrada, PaulaGaussian; 16; EM64L-G16RevC.01Geometry optimization MinimumRB3LYP; TD-FC6-311+G(D,P) 6-311+G(3DF,2P)-1091.1114985; Eh
thumbnail.jpeg22-Dec-2021bitertanol_RR_CONF93_waterPla Terrada, PaulaOrca; 4.2.1; RELEASESingle point-def2-TZVPP-1090.77442927; Eh
thumbnail.jpeg21-Dec-2021bitertanol_RR_CONF93_waterPla Terrada, PaulaGaussian; 16; EM64L-G16RevC.01Geometry optimization MinimumRB3LYP; TD-FC6-311+G(D,P) 6-311+G(3DF,2P)-1091.104614; Eh
thumbnail.jpeg22-Dec-2021bitertanol_RR_CONF9_gasPla Terrada, PaulaOrca; 4.2.1; RELEASESingle point-def2-TZVPP-1090.75606645; Eh
thumbnail.jpeg21-Dec-2021bitertanol_RR_CONF9_gasPla Terrada, PaulaGaussian; 16; EM64L-G16RevC.01Geometry optimization MinimumRB3LYP; TD-FC6-311+G(D,P) 6-311+G(3DF,2P)-1091.0836099; Eh
thumbnail.jpeg22-Dec-2021bitertanol_RR_CONF9_octanolPla Terrada, PaulaOrca; 4.2.1; RELEASESingle point-def2-TZVPP-1090.78491145; Eh
thumbnail.jpeg21-Dec-2021bitertanol_RR_CONF9_octanolPla Terrada, PaulaGaussian; 16; EM64L-G16RevC.01Geometry optimization MinimumRB3LYP; TD-FC6-311+G(D,P) 6-311+G(3DF,2P)-1091.1124848; Eh
thumbnail.jpeg22-Dec-2021bitertanol_RR_CONF9_waterPla Terrada, PaulaOrca; 4.2.1; RELEASESingle point-def2-TZVPP-1090.77391798; Eh
thumbnail.jpeg21-Dec-2021bitertanol_RR_CONF9_waterPla Terrada, PaulaGaussian; 16; EM64L-G16RevC.01Geometry optimization MinimumRB3LYP; TD-FC6-311+G(D,P) 6-311+G(3DF,2P)-1091.1038333; Eh
thumbnail.jpeg22-Dec-2021bitertanol_RS_CONF10_gasPla Terrada, PaulaOrca; 4.2.1; RELEASESingle point-def2-TZVPP-1090.75850133; Eh
thumbnail.jpeg21-Dec-2021bitertanol_RS_CONF10_gasPla Terrada, PaulaGaussian; 16; EM64L-G16RevC.01Geometry optimization MinimumRB3LYP; TD-FC6-311+G(D,P) 6-311+G(3DF,2P)-1091.0856636; Eh
thumbnail.jpeg22-Dec-2021bitertanol_RS_CONF10_octanolPla Terrada, PaulaOrca; 4.2.1; RELEASESingle point-def2-TZVPP-1090.78559850; Eh
thumbnail.jpeg21-Dec-2021bitertanol_RS_CONF10_octanolPla Terrada, PaulaGaussian; 16; EM64L-G16RevC.01Geometry optimization MinimumRB3LYP; TD-FC6-311+G(D,P) 6-311+G(3DF,2P)-1091.1124907; Eh
thumbnail.jpeg22-Dec-2021bitertanol_RS_CONF10_waterPla Terrada, PaulaOrca; 4.2.1; RELEASESingle point-def2-TZVPP-1090.77556862; Eh
thumbnail.jpeg21-Dec-2021bitertanol_RS_CONF10_waterPla Terrada, PaulaGaussian; 16; EM64L-G16RevC.01Geometry optimization MinimumRB3LYP; TD-FC6-311+G(D,P) 6-311+G(3DF,2P)-1091.1037539; Eh
thumbnail.jpeg22-Dec-2021bitertanol_RS_CONF111_octanolPla Terrada, PaulaOrca; 4.2.1; RELEASESingle point-def2-TZVPP-1090.78333970; Eh
Showing results 210275 to 210294 of 317984 < previous   next >