Browsing by Subject Hydrogenation

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 21 to 40 of 60 < previous   next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required18-Mar-2019Deprotonation_ax_with_triphenylguanidineArtus Suarez, LluisGaussian; 09; ES64L-G09RevD.01Geometry optimization TSRM066-31+G**-1300.01218367; Eh
Login required18-Mar-2019Deprotonation_eq_with_Methyl_formanilideArtus Suarez, LluisGaussian; 09; ES64L-G09RevD.01Geometry optimization TSRM066-31+G**-842.085289019; Eh
Login required18-Mar-2019Deprotonation_eq_with_triphenylguanidineArtus Suarez, LluisGaussian; 09; ES64L-G09RevD.01Geometry optimization TSRM066-31+G**-1300.00812071; Eh
Login required18-Mar-2019Deprotonation_with_diisopropyl-methylphenolArtus Suarez, LluisGaussian; 09; ES64L-G09RevD.01Geometry optimization TSRM066-31+G**-831.820620656; Eh
Login required18-Mar-2019Deprotonation_with_formanilideArtus Suarez, LluisGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRM066-31+G**-650.245134773; Eh
Login required18-Mar-2019Deprotonation_with_methylformanilideArtus Suarez, LluisGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM066-31+G**-689.534610348; Eh
Login required18-Mar-2019Deprotonation_with_tertbutyl-methylphenolArtus Suarez, LluisGaussian; 09; ES64L-G09RevD.01Single point StructureRM066-31+G**-910.376263463; Eh
Login required18-Mar-2019Deprotonation_with_trimethylphenolArtus Suarez, LluisGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRM066-31+G**-674.685327185; Eh
Login required18-Mar-2019Deprotonation_with_triphenylguanidineArtus Suarez, LluisGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRM066-31+G**-1147.45733171; Eh
Login required18-Mar-2019Deprotonation_with_ureaArtus Suarez, LluisGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM066-31+G**-474.720111130; Eh
Login required18-Mar-2019DiphenylamideArtus Suarez, LluisGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM066-31+G**-631.568673208; Eh
Login required18-Mar-2019Direct_ax_proton_transferArtus Suarez, LluisGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRM066-31+G**-402.048355060; Eh
Login required18-Mar-2019Direct_eq_proton_transferArtus Suarez, LluisGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRM066-31+G**-402.047902201; Eh
Login required18-Mar-2019Direct_proton_transferArtus Suarez, LluisGaussian; 09; ES64L-G09RevD.01Geometry optimization TSRM066-31+G**-249.493904735; Eh
Login required18-Mar-2019Fe_(PNP)Artus Suarez, LluisGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM066-31+G**-1605.65355412; Eh
Login required18-Mar-2019FeH_(PNHP)Artus Suarez, LluisGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM066-31+G**-1606.86520449; Eh
Login required18-Mar-2019FeN_assisted_CN_cleavageArtus Suarez, LluisGaussian; 09; ES64L-G09RevD.01Geometry optimization TSRM066-31+G**-2238.41661772; Eh
Login required18-Mar-2019FormanilideArtus Suarez, LluisGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM066-31+G**-400.696773606; Eh
Login required18-Mar-2019MethanolArtus Suarez, LluisGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM066-31+G**-115.664545044; Eh
Login required18-Mar-2019Methyl_formanilideArtus Suarez, LluisGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM066-31+G**-439.990828453; Eh