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Showing results 225600 to 225619 of 317980 < previous   next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg22-Dec-2021difenoconazole_RR_CONF74_waterPla Terrada, PaulaOrca; 4.2.1; RELEASESingle point-def2-TZVPP-2044.68819654; Eh
thumbnail.jpeg21-Dec-2021difenoconazole_RR_CONF74_waterPla Terrada, PaulaGaussian; 16; EM64L-G16RevC.01Geometry optimization MinimumRB3LYP; TD-FC6-311+G(D,P) 6-311+G(3DF,2P)-2045.0557069; Eh
thumbnail.jpeg22-Dec-2021difenoconazole_RR_CONF75_gasPla Terrada, PaulaOrca; 4.2.1; RELEASESingle point-def2-TZVPP-2044.66993801; Eh
thumbnail.jpeg21-Dec-2021difenoconazole_RR_CONF75_gasPla Terrada, PaulaGaussian; 16; EM64L-G16RevC.01Geometry optimization MinimumRB3LYP; TD-FC6-311+G(D,P) 6-311+G(3DF,2P)-2045.0342073; Eh
thumbnail.jpeg22-Dec-2021difenoconazole_RR_CONF75_octanolPla Terrada, PaulaOrca; 4.2.1; RELEASESingle point-def2-TZVPP-2044.69982971; Eh
thumbnail.jpeg21-Dec-2021difenoconazole_RR_CONF75_octanolPla Terrada, PaulaGaussian; 16; EM64L-G16RevC.01Geometry optimization MinimumRB3LYP; TD-FC6-311+G(D,P) 6-311+G(3DF,2P)-2045.0635324; Eh
thumbnail.jpeg22-Dec-2021difenoconazole_RR_CONF75_waterPla Terrada, PaulaOrca; 4.2.1; RELEASESingle point-def2-TZVPP-2044.68859435; Eh
thumbnail.jpeg21-Dec-2021difenoconazole_RR_CONF75_waterPla Terrada, PaulaGaussian; 16; EM64L-G16RevC.01Geometry optimization MinimumRB3LYP; TD-FC6-311+G(D,P) 6-311+G(3DF,2P)-2045.0551686; Eh
thumbnail.jpeg22-Dec-2021difenoconazole_RR_CONF77_gasPla Terrada, PaulaOrca; 4.2.1; RELEASESingle point-def2-TZVPP-2044.66831682; Eh
thumbnail.jpeg21-Dec-2021difenoconazole_RR_CONF77_gasPla Terrada, PaulaGaussian; 16; EM64L-G16RevC.01Geometry optimization MinimumRB3LYP; TD-FC6-311+G(D,P) 6-311+G(3DF,2P)-2045.0326171; Eh
thumbnail.jpeg22-Dec-2021difenoconazole_RR_CONF77_octanolPla Terrada, PaulaOrca; 4.2.1; RELEASESingle point-def2-TZVPP-2044.69784744; Eh
thumbnail.jpeg21-Dec-2021difenoconazole_RR_CONF77_octanolPla Terrada, PaulaGaussian; 16; EM64L-G16RevC.01Geometry optimization MinimumRB3LYP; TD-FC6-311+G(D,P) 6-311+G(3DF,2P)-2045.0624159; Eh
thumbnail.jpeg22-Dec-2021difenoconazole_RR_CONF77_waterPla Terrada, PaulaOrca; 4.2.1; RELEASESingle point-def2-TZVPP-2044.68820802; Eh
thumbnail.jpeg21-Dec-2021difenoconazole_RR_CONF77_waterPla Terrada, PaulaGaussian; 16; EM64L-G16RevC.01Geometry optimization MinimumRB3LYP; TD-FC6-311+G(D,P) 6-311+G(3DF,2P)-2045.0550056; Eh
thumbnail.jpeg22-Dec-2021difenoconazole_RR_CONF7_gasPla Terrada, PaulaOrca; 4.2.1; RELEASESingle point-def2-TZVPP-2044.66860810; Eh
thumbnail.jpeg21-Dec-2021difenoconazole_RR_CONF7_gasPla Terrada, PaulaGaussian; 16; EM64L-G16RevC.01Geometry optimization MinimumRB3LYP; TD-FC6-311+G(D,P) 6-311+G(3DF,2P)-2045.0340168; Eh
thumbnail.jpeg22-Dec-2021difenoconazole_RR_CONF7_octanolPla Terrada, PaulaOrca; 4.2.1; RELEASESingle point-def2-TZVPP-2044.69757968; Eh
thumbnail.jpeg21-Dec-2021difenoconazole_RR_CONF7_octanolPla Terrada, PaulaGaussian; 16; EM64L-G16RevC.01Geometry optimization MinimumRB3LYP; TD-FC6-311+G(D,P) 6-311+G(3DF,2P)-2045.0632208; Eh
thumbnail.jpeg22-Dec-2021difenoconazole_RR_CONF7_waterPla Terrada, PaulaOrca; 4.2.1; RELEASESingle point-def2-TZVPP-2044.68605718; Eh
thumbnail.jpeg21-Dec-2021difenoconazole_RR_CONF7_waterPla Terrada, PaulaGaussian; 16; EM64L-G16RevC.01Geometry optimization MinimumRB3LYP; TD-FC6-311+G(D,P) 6-311+G(3DF,2P)-2045.0554214; Eh
Showing results 225600 to 225619 of 317980 < previous   next >