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Showing results 210335 to 210354 of 319185 < previous   next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg22-Dec-2021bitertanol_RR_CONF6_octanolPla Terrada, PaulaOrca; 4.2.1; RELEASESingle point-def2-TZVPP-1090.78490881; Eh
thumbnail.jpeg21-Dec-2021bitertanol_RR_CONF6_octanolPla Terrada, PaulaGaussian; 16; EM64L-G16RevC.01Geometry optimization MinimumRB3LYP; TD-FC6-311+G(D,P) 6-311+G(3DF,2P)-1091.1124733; Eh
thumbnail.jpeg22-Dec-2021bitertanol_RR_CONF6_waterPla Terrada, PaulaOrca; 4.2.1; RELEASESingle point-def2-TZVPP-1090.77378039; Eh
thumbnail.jpeg21-Dec-2021bitertanol_RR_CONF6_waterPla Terrada, PaulaGaussian; 16; EM64L-G16RevC.01Geometry optimization MinimumRB3LYP; TD-FC6-311+G(D,P) 6-311+G(3DF,2P)-1091.1037725; Eh
thumbnail.jpeg22-Dec-2021bitertanol_RR_CONF72_waterPla Terrada, PaulaOrca; 4.2.1; RELEASESingle point-def2-TZVPP-1090.77386170; Eh
thumbnail.jpeg21-Dec-2021bitertanol_RR_CONF72_waterPla Terrada, PaulaGaussian; 16; EM64L-G16RevC.01Geometry optimization MinimumRB3LYP; TD-FC6-311+G(D,P) 6-311+G(3DF,2P)-1091.1034144; Eh
thumbnail.jpeg22-Dec-2021bitertanol_RR_CONF74_waterPla Terrada, PaulaOrca; 4.2.1; RELEASESingle point-def2-TZVPP-1090.77368587; Eh
thumbnail.jpeg21-Dec-2021bitertanol_RR_CONF74_waterPla Terrada, PaulaGaussian; 16; EM64L-G16RevC.01Geometry optimization MinimumRB3LYP; TD-FC6-311+G(D,P) 6-311+G(3DF,2P)-1091.103254; Eh
thumbnail.jpeg22-Dec-2021bitertanol_RR_CONF7_gasPla Terrada, PaulaOrca; 4.2.1; RELEASESingle point-def2-TZVPP-1090.75608271; Eh
thumbnail.jpeg21-Dec-2021bitertanol_RR_CONF7_gasPla Terrada, PaulaGaussian; 16; EM64L-G16RevC.01Geometry optimization MinimumRB3LYP; TD-FC6-311+G(D,P) 6-311+G(3DF,2P)-1091.0835705; Eh
thumbnail.jpeg22-Dec-2021bitertanol_RR_CONF7_waterPla Terrada, PaulaOrca; 4.2.1; RELEASESingle point-def2-TZVPP-1090.77376855; Eh
thumbnail.jpeg21-Dec-2021bitertanol_RR_CONF7_waterPla Terrada, PaulaGaussian; 16; EM64L-G16RevC.01Geometry optimization MinimumRB3LYP; TD-FC6-311+G(D,P) 6-311+G(3DF,2P)-1091.1037724; Eh
thumbnail.jpeg22-Dec-2021bitertanol_RR_CONF83_octanolPla Terrada, PaulaOrca; 4.2.1; RELEASESingle point-def2-TZVPP-1090.78478256; Eh
thumbnail.jpeg21-Dec-2021bitertanol_RR_CONF83_octanolPla Terrada, PaulaGaussian; 16; EM64L-G16RevC.01Geometry optimization MinimumRB3LYP; TD-FC6-311+G(D,P) 6-311+G(3DF,2P)-1091.1115609; Eh
thumbnail.jpeg22-Dec-2021bitertanol_RR_CONF83_waterPla Terrada, PaulaOrca; 4.2.1; RELEASESingle point-def2-TZVPP-1090.77464375; Eh
thumbnail.jpeg21-Dec-2021bitertanol_RR_CONF83_waterPla Terrada, PaulaGaussian; 16; EM64L-G16RevC.01Geometry optimization MinimumRB3LYP; TD-FC6-311+G(D,P) 6-311+G(3DF,2P)-1091.1036931; Eh
thumbnail.jpeg22-Dec-2021bitertanol_RR_CONF84_octanolPla Terrada, PaulaOrca; 4.2.1; RELEASESingle point-def2-TZVPP-1090.78473549; Eh
thumbnail.jpeg21-Dec-2021bitertanol_RR_CONF84_octanolPla Terrada, PaulaGaussian; 16; EM64L-G16RevC.01Geometry optimization MinimumRB3LYP; TD-FC6-311+G(D,P) 6-311+G(3DF,2P)-1091.1115608; Eh
thumbnail.jpeg22-Dec-2021bitertanol_RR_CONF84_waterPla Terrada, PaulaOrca; 4.2.1; RELEASESingle point-def2-TZVPP-1090.77466487; Eh
thumbnail.jpeg21-Dec-2021bitertanol_RR_CONF84_waterPla Terrada, PaulaGaussian; 16; EM64L-G16RevC.01Geometry optimization MinimumRB3LYP; TD-FC6-311+G(D,P) 6-311+G(3DF,2P)-1091.1036935; Eh
Showing results 210335 to 210354 of 319185 < previous   next >