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Showing results 225640 to 225659 of 317984 < previous   next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg21-Dec-2021difenoconazole_RR_CONF83_gasPla Terrada, PaulaGaussian; 16; EM64L-G16RevC.01Geometry optimization MinimumRB3LYP; TD-FC6-311+G(D,P) 6-311+G(3DF,2P)-2045.0337872; Eh
thumbnail.jpeg22-Dec-2021difenoconazole_RR_CONF83_octanolPla Terrada, PaulaOrca; 4.2.1; RELEASESingle point-def2-TZVPP-2044.69820639; Eh
thumbnail.jpeg21-Dec-2021difenoconazole_RR_CONF83_octanolPla Terrada, PaulaGaussian; 16; EM64L-G16RevC.01Geometry optimization MinimumRB3LYP; TD-FC6-311+G(D,P) 6-311+G(3DF,2P)-2045.0636592; Eh
thumbnail.jpeg22-Dec-2021difenoconazole_RR_CONF83_waterPla Terrada, PaulaOrca; 4.2.1; RELEASESingle point-def2-TZVPP-2044.68819737; Eh
thumbnail.jpeg21-Dec-2021difenoconazole_RR_CONF83_waterPla Terrada, PaulaGaussian; 16; EM64L-G16RevC.01Geometry optimization MinimumRB3LYP; TD-FC6-311+G(D,P) 6-311+G(3DF,2P)-2045.0557304; Eh
thumbnail.jpeg22-Dec-2021difenoconazole_RR_CONF84_gasPla Terrada, PaulaOrca; 4.2.1; RELEASESingle point-def2-TZVPP-2044.66857107; Eh
thumbnail.jpeg21-Dec-2021difenoconazole_RR_CONF84_gasPla Terrada, PaulaGaussian; 16; EM64L-G16RevC.01Geometry optimization MinimumRB3LYP; TD-FC6-311+G(D,P) 6-311+G(3DF,2P)-2045.033787; Eh
thumbnail.jpeg22-Dec-2021difenoconazole_RR_CONF84_octanolPla Terrada, PaulaOrca; 4.2.1; RELEASESingle point-def2-TZVPP-2044.69834254; Eh
thumbnail.jpeg21-Dec-2021difenoconazole_RR_CONF84_octanolPla Terrada, PaulaGaussian; 16; EM64L-G16RevC.01Geometry optimization MinimumRB3LYP; TD-FC6-311+G(D,P) 6-311+G(3DF,2P)-2045.0637364; Eh
thumbnail.jpeg22-Dec-2021difenoconazole_RR_CONF84_waterPla Terrada, PaulaOrca; 4.2.1; RELEASESingle point-def2-TZVPP-2044.68789392; Eh
thumbnail.jpeg21-Dec-2021difenoconazole_RR_CONF84_waterPla Terrada, PaulaGaussian; 16; EM64L-G16RevC.01Geometry optimization MinimumRB3LYP; TD-FC6-311+G(D,P) 6-311+G(3DF,2P)-2045.0556622; Eh
thumbnail.jpeg22-Dec-2021difenoconazole_RR_CONF85_gasPla Terrada, PaulaOrca; 4.2.1; RELEASESingle point-def2-TZVPP-2044.67023549; Eh
thumbnail.jpeg21-Dec-2021difenoconazole_RR_CONF85_gasPla Terrada, PaulaGaussian; 16; EM64L-G16RevC.01Geometry optimization MinimumRB3LYP; TD-FC6-311+G(D,P) 6-311+G(3DF,2P)-2045.0341114; Eh
thumbnail.jpeg22-Dec-2021difenoconazole_RR_CONF85_octanolPla Terrada, PaulaOrca; 4.2.1; RELEASESingle point-def2-TZVPP-2044.69953584; Eh
thumbnail.jpeg21-Dec-2021difenoconazole_RR_CONF85_octanolPla Terrada, PaulaGaussian; 16; EM64L-G16RevC.01Geometry optimization MinimumRB3LYP; TD-FC6-311+G(D,P) 6-311+G(3DF,2P)-2045.063403; Eh
thumbnail.jpeg22-Dec-2021difenoconazole_RR_CONF85_waterPla Terrada, PaulaOrca; 4.2.1; RELEASESingle point-def2-TZVPP-2044.68909519; Eh
thumbnail.jpeg21-Dec-2021difenoconazole_RR_CONF85_waterPla Terrada, PaulaGaussian; 16; EM64L-G16RevC.01Geometry optimization MinimumRB3LYP; TD-FC6-311+G(D,P) 6-311+G(3DF,2P)-2045.0550539; Eh
thumbnail.jpeg22-Dec-2021difenoconazole_RR_CONF87_gasPla Terrada, PaulaOrca; 4.2.1; RELEASESingle point-def2-TZVPP-2044.66715307; Eh
thumbnail.jpeg21-Dec-2021difenoconazole_RR_CONF87_gasPla Terrada, PaulaGaussian; 16; EM64L-G16RevC.01Geometry optimization MinimumRB3LYP; TD-FC6-311+G(D,P) 6-311+G(3DF,2P)-2045.0317455; Eh
thumbnail.jpeg22-Dec-2021difenoconazole_RR_CONF87_octanolPla Terrada, PaulaOrca; 4.2.1; RELEASESingle point-def2-TZVPP-2044.69708718; Eh
Showing results 225640 to 225659 of 317984 < previous   next >