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Showing results 225620 to 225639 of 318333 < previous   next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg21-Dec-2021difenoconazole_RR_CONF109_gasPla Terrada, PaulaGaussian; 16; EM64L-G16RevC.01Geometry optimization MinimumRB3LYP; TD-FC6-311+G(D,P) 6-311+G(3DF,2P)-2045.0336222; Eh
thumbnail.jpeg22-Dec-2021difenoconazole_RR_CONF109_gasPla Terrada, PaulaOrca; 4.2.1; RELEASESingle point-def2-TZVPP-2044.66938506; Eh
thumbnail.jpeg22-Dec-2021difenoconazole_RR_CONF109_octanolPla Terrada, PaulaOrca; 4.2.1; RELEASESingle point-def2-TZVPP-2044.69921607; Eh
thumbnail.jpeg21-Dec-2021difenoconazole_RR_CONF109_octanolPla Terrada, PaulaGaussian; 16; EM64L-G16RevC.01Geometry optimization MinimumRB3LYP; TD-FC6-311+G(D,P) 6-311+G(3DF,2P)-2045.0634883; Eh
thumbnail.jpeg22-Dec-2021difenoconazole_RR_CONF109_waterPla Terrada, PaulaOrca; 4.2.1; RELEASESingle point-def2-TZVPP-2044.68884606; Eh
thumbnail.jpeg21-Dec-2021difenoconazole_RR_CONF109_waterPla Terrada, PaulaGaussian; 16; EM64L-G16RevC.01Geometry optimization MinimumRB3LYP; TD-FC6-311+G(D,P) 6-311+G(3DF,2P)-2045.0557987; Eh
thumbnail.jpeg22-Dec-2021difenoconazole_RR_CONF10_gasPla Terrada, PaulaOrca; 4.2.1; RELEASESingle point-def2-TZVPP-2044.66640363; Eh
thumbnail.jpeg21-Dec-2021difenoconazole_RR_CONF10_gasPla Terrada, PaulaGaussian; 16; EM64L-G16RevC.01Geometry optimization MinimumRB3LYP; TD-FC6-311+G(D,P) 6-311+G(3DF,2P)-2045.0320271; Eh
thumbnail.jpeg22-Dec-2021difenoconazole_RR_CONF110_waterPla Terrada, PaulaOrca; 4.2.1; RELEASESingle point-def2-TZVPP-2044.68544812; Eh
thumbnail.jpeg22-Dec-2021difenoconazole_RR_CONF111_waterPla Terrada, PaulaOrca; 4.2.1; RELEASESingle point-def2-TZVPP-2044.68626802; Eh
thumbnail.jpeg21-Dec-2021difenoconazole_RR_CONF111_waterPla Terrada, PaulaGaussian; 16; EM64L-G16RevC.01Geometry optimization MinimumRB3LYP; TD-FC6-311+G(D,P) 6-311+G(3DF,2P)-2045.0533501; Eh
thumbnail.jpeg21-Dec-2021difenoconazole_RR_CONF112_gasPla Terrada, PaulaGaussian; 16; EM64L-G16RevC.01Geometry optimization MinimumRB3LYP; TD-FC6-311+G(D,P) 6-311+G(3DF,2P)-2045.0336227; Eh
thumbnail.jpeg22-Dec-2021difenoconazole_RR_CONF112_gasPla Terrada, PaulaOrca; 4.2.1; RELEASESingle point-def2-TZVPP-2044.66976015; Eh
thumbnail.jpeg22-Dec-2021difenoconazole_RR_CONF112_octanolPla Terrada, PaulaOrca; 4.2.1; RELEASESingle point-def2-TZVPP-2044.69923545; Eh
thumbnail.jpeg21-Dec-2021difenoconazole_RR_CONF112_octanolPla Terrada, PaulaGaussian; 16; EM64L-G16RevC.01Geometry optimization MinimumRB3LYP; TD-FC6-311+G(D,P) 6-311+G(3DF,2P)-2045.0634919; Eh
thumbnail.jpeg22-Dec-2021difenoconazole_RR_CONF112_waterPla Terrada, PaulaOrca; 4.2.1; RELEASESingle point-def2-TZVPP-2044.68931530; Eh
thumbnail.jpeg21-Dec-2021difenoconazole_RR_CONF112_waterPla Terrada, PaulaGaussian; 16; EM64L-G16RevC.01Geometry optimization MinimumRB3LYP; TD-FC6-311+G(D,P) 6-311+G(3DF,2P)-2045.0557749; Eh
thumbnail.jpeg22-Dec-2021difenoconazole_RR_CONF11_gasPla Terrada, PaulaOrca; 4.2.1; RELEASESingle point-def2-TZVPP-2044.66568184; Eh
thumbnail.jpeg21-Dec-2021difenoconazole_RR_CONF11_gasPla Terrada, PaulaGaussian; 16; EM64L-G16RevC.01Geometry optimization MinimumRB3LYP; TD-FC6-311+G(D,P) 6-311+G(3DF,2P)-2045.0315475; Eh
thumbnail.jpeg22-Dec-2021difenoconazole_RR_CONF12_gasPla Terrada, PaulaOrca; 4.2.1; RELEASESingle point-def2-TZVPP-2044.66573576; Eh
Showing results 225620 to 225639 of 318333 < previous   next >