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Showing results 252594 to 252613 of 318057 < previous   next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg21-Dec-2021ipconazole_RRS_CONF28_gasPla Terrada, PaulaOrca; 4.2.1; RELEASESingle point-def2-TZVPP-1400.13922299; Eh
thumbnail.jpeg21-Dec-2021ipconazole_RRS_CONF29_gasPla Terrada, PaulaGaussian; 16; EM64L-G16RevC.01Geometry optimization MinimumRB3LYP; TD-FC6-311+G(D,P) 6-311+G(3DF,2P)-1400.4404638; Eh
thumbnail.jpeg21-Dec-2021ipconazole_RRS_CONF29_gasPla Terrada, PaulaOrca; 4.2.1; RELEASESingle point-def2-TZVPP-1400.14286366; Eh
thumbnail.jpeg21-Dec-2021ipconazole_RRS_CONF29_octanolPla Terrada, PaulaGaussian; 16; EM64L-G16RevC.01Geometry optimization MinimumRB3LYP; TD-FC6-311+G(D,P) 6-311+G(3DF,2P)-1400.4684546; Eh
thumbnail.jpeg21-Dec-2021ipconazole_RRS_CONF29_octanolPla Terrada, PaulaOrca; 4.2.1; RELEASESingle point-def2-TZVPP-1400.16661436; Eh
thumbnail.jpeg21-Dec-2021ipconazole_RRS_CONF29_waterPla Terrada, PaulaGaussian; 16; EM64L-G16RevC.01Geometry optimization MinimumRB3LYP; TD-FC6-311+G(D,P) 6-311+G(3DF,2P)-1400.4569621; Eh
thumbnail.jpeg21-Dec-2021ipconazole_RRS_CONF29_waterPla Terrada, PaulaOrca; 4.2.1; RELEASESingle point-def2-TZVPP-1400.15630141; Eh
thumbnail.jpeg21-Dec-2021ipconazole_RRS_CONF2_gasPla Terrada, PaulaGaussian; 16; EM64L-G16RevC.01Geometry optimization MinimumRB3LYP; TD-FC6-311+G(D,P) 6-311+G(3DF,2P)-1400.4390684; Eh
thumbnail.jpeg21-Dec-2021ipconazole_RRS_CONF2_gasPla Terrada, PaulaOrca; 4.2.1; RELEASESingle point-def2-TZVPP-1400.13792122; Eh
thumbnail.jpeg21-Dec-2021ipconazole_RRS_CONF2_octanolPla Terrada, PaulaGaussian; 16; EM64L-G16RevC.01Geometry optimization MinimumRB3LYP; TD-FC6-311+G(D,P) 6-311+G(3DF,2P)-1400.4661744; Eh
thumbnail.jpeg21-Dec-2021ipconazole_RRS_CONF2_octanolPla Terrada, PaulaOrca; 4.2.1; RELEASESingle point-def2-TZVPP-1400.16479683; Eh
thumbnail.jpeg21-Dec-2021ipconazole_RRS_CONF2_waterPla Terrada, PaulaGaussian; 16; EM64L-G16RevC.01Geometry optimization MinimumRB3LYP; TD-FC6-311+G(D,P) 6-311+G(3DF,2P)-1400.458088; Eh
thumbnail.jpeg21-Dec-2021ipconazole_RRS_CONF2_waterPla Terrada, PaulaOrca; 4.2.1; RELEASESingle point-def2-TZVPP-1400.15458605; Eh
thumbnail.jpeg21-Dec-2021ipconazole_RRS_CONF30_gasPla Terrada, PaulaGaussian; 16; EM64L-G16RevC.01Geometry optimization MinimumRB3LYP; TD-FC6-311+G(D,P) 6-311+G(3DF,2P)-1400.4404637; Eh
thumbnail.jpeg21-Dec-2021ipconazole_RRS_CONF30_gasPla Terrada, PaulaOrca; 4.2.1; RELEASESingle point-def2-TZVPP-1400.14287256; Eh
thumbnail.jpeg21-Dec-2021ipconazole_RRS_CONF30_octanolPla Terrada, PaulaGaussian; 16; EM64L-G16RevC.01Geometry optimization MinimumRB3LYP; TD-FC6-311+G(D,P) 6-311+G(3DF,2P)-1400.4684541; Eh
thumbnail.jpeg21-Dec-2021ipconazole_RRS_CONF30_octanolPla Terrada, PaulaOrca; 4.2.1; RELEASESingle point-def2-TZVPP-1400.16696479; Eh
thumbnail.jpeg21-Dec-2021ipconazole_RRS_CONF30_waterPla Terrada, PaulaGaussian; 16; EM64L-G16RevC.01Geometry optimization MinimumRB3LYP; TD-FC6-311+G(D,P) 6-311+G(3DF,2P)-1400.456963; Eh
thumbnail.jpeg21-Dec-2021ipconazole_RRS_CONF30_waterPla Terrada, PaulaOrca; 4.2.1; RELEASESingle point-def2-TZVPP-1400.15650016; Eh
thumbnail.jpeg21-Dec-2021ipconazole_RRS_CONF36_octanolPla Terrada, PaulaGaussian; 16; EM64L-G16RevC.01Geometry optimization MinimumRB3LYP; TD-FC6-311+G(D,P) 6-311+G(3DF,2P)-1400.4659476; Eh
Showing results 252594 to 252613 of 318057 < previous   next >