Browsing by Author Mudarra, Ángel Luís

Jump to: 0-9 A B C D E F G H I J K L M N O P Q R S T U V W X Y Z
or enter first few letters:  
Showing results 61 to 80 of 207 < previous   next >
PreviewTitleAuthor(s)ProgramMethod(s)Basis SetEnergySolv.Vibr.
thumbnail.jpeg/Hydrogen_substituent_(R=H)/Single_Points_Calculations TS5-SP-HMudarra, Ángel LuísGaussian; 09; EM64L-G09RevD.01RB3LYPLANL2DZ; 6-311++G(d,p)-2194.92077311; Eh
thumbnail.jpeg/Hydrogen_substituent_(R=H)/Single_Points_Calculations TS6-SP-HMudarra, Ángel LuísGaussian; 09; EM64L-G09RevD.01RB3LYPLANL2DZ; 6-311++G(d,p)-2194.94234217; Eh
thumbnail.jpeg/Hydrogen_substituent_(R=H)/Single_Points_Calculations TS7-SP-HMudarra, Ángel LuísGaussian; 09; EM64L-G09RevD.01RB3LYPLANL2DZ; 6-311++G(d,p)-2194.91232711; Eh
thumbnail.jpeg/Hydrogen_substituent_(R=H)/Single_Points_Calculations TS8-SP-HMudarra, Ángel LuísGaussian; 09; EM64L-G09RevD.01RB3LYPLANL2DZ; 6-311++G(d,p)-2194.94386176; Eh
thumbnail.jpeg/Hydrogen_substituent_(R=H)/Single_Points_Calculations TS9-SP-HMudarra, Ángel LuísGaussian; 09; EM64L-G09RevD.01RB3LYPLANL2DZ; 6-311++G(d,p)-2194.95368926; Eh
thumbnail.jpeg/Hydrogen_substituent_(R=H)/Single_Points_Calculations/MECP1-SP-H MECP1-s-SP-HMudarra, Ángel LuísGaussian; 09; EM64L-G09RevD.01RB3LYPLANL2DZ; 6-311++G(d,p)-2194.92135467; Eh
thumbnail.jpeg/Hydrogen_substituent_(R=H)/Single_Points_Calculations/MECP1-SP-H MECP1-t-SP-HMudarra, Ángel LuísGaussian; 09; EM64L-G09RevD.01UB3LYPLANL2DZ; 6-311++G(d,p)-2194.92153720; Eh
thumbnail.jpeg/Hydrogen_substituent_(R=H)/Single_Points_Calculations/MECP2-SP-H MECP2-s-SP-HMudarra, Ángel LuísGaussian; 09; EM64L-G09RevD.01RB3LYPLANL2DZ; 6-311++G(d,p)-2194.92389742; Eh
thumbnail.jpeg/Hydrogen_substituent_(R=H)/Single_Points_Calculations/MECP2-SP-H MECP2-t-SP-HMudarra, Ángel LuísGaussian; 09; EM64L-G09RevD.01UB3LYPLANL2DZ; 6-311++G(d,p)-2194.93016188; Eh
thumbnail.jpegI-negaMudarra, Ángel LuísGaussian; 09; EM64L-G09RevD.01RM06SDD-11.5726270541; Eh
thumbnail.jpegI1-AgMudarra, Ángel LuísGaussian; 09; EM64L-G09RevD.01RM06SDD; 6-31+G(d,p)-822.226609320; Eh
thumbnail.jpegI1-Ag-NBOMudarra, Ángel LuísGaussian; 09; EM64L-G09RevD.01RM06SDD; 6-31+G(d,p)-822.160623223; Eh
thumbnail.jpegI1-AuMudarra, Ángel LuísGaussian; 09; EM64L-G09RevD.01RM06SDD; 6-31+G(d,p)-811.011314609; Eh
thumbnail.jpegI1-Au-NBOMudarra, Ángel LuísGaussian; 09; EM64L-G09RevD.01RM06SDD; 6-31+G(d,p)-810.946051184; Eh
thumbnail.jpegI1-CuMudarra, Ángel LuísGaussian; 09; EM64L-G09RevD.01RM06SDD; 6-31+G(d,p)-872.633539905; Eh
thumbnail.jpegI1-Cu-NBOMudarra, Ángel LuísGaussian; 09; EM64L-G09RevD.01RM06SDD; 6-31+G(d,p)-872.562424067; Eh
thumbnail.jpegI1-ionpair-CuMudarra, Ángel LuísGaussian; 09; EM64L-G09RevD.01RM06SDD; 6-31+G(d,p)-1086.73697061; Eh
thumbnail.jpegI11-CuMudarra, Ángel LuísGaussian; 09; EM64L-G09RevD.01UM06SDD; 6-31+G(d,p)-872.449143083; Eh
thumbnail.jpegI12-CuMudarra, Ángel LuísGaussian; 09; EM64L-G09RevD.01UM06SDD; 6-31+G(d,p)-546.333606506; Eh
thumbnail.jpegI12-MeMudarra, Ángel LuísGaussian; 09; EM64L-G09RevD.01RB3LYPLANL2DZ; 6-31G(d)-2233.91009738; Eh