Browsing by Subject Homogeneous catalysis

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 219 < previous   next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg4-Jun-201814DMFArtus Suarez, LluisGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM066-31+G**-1855.23767832; Eh
thumbnail.jpeg4-Jun-201814FArtus Suarez, LluisGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM066-31+G**-2007.57055818; Eh
thumbnail.jpeg4-Jun-201815DMFArtus Suarez, LluisGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM066-31+G**-1855.22881541; Eh
thumbnail.jpeg4-Jun-201815FArtus Suarez, LluisGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM066-31+G**-2007.56551436; Eh
thumbnail.jpeg4-Jun-201816FArtus Suarez, LluisGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM066-31+G**-1893.09125919; Eh
thumbnail.jpeg4-Jun-201817FArtus Suarez, LluisGaussian; 09; EM64L-G09RevD.01Single point StructureRM066-31+G**-2293.82125993; Eh
thumbnail.jpeg4-Jun-201818DMFArtus Suarez, LluisGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM066-31+G**-249.524949038; Eh
thumbnail.jpeg4-Jun-201819DMFArtus Suarez, LluisGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM066-31+G**-2255.95568138; Eh
thumbnail.jpeg4-Jun-201819FArtus Suarez, LluisGaussian; 09; ES64L-G09RevD.01Geometry optimization MinimumRM066-31+G**-2408.28675018; Eh
thumbnail.jpeg4-Jun-201820DMFArtus Suarez, LluisGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM066-31+G**-2255.94878953; Eh
thumbnail.jpeg4-Jun-201820FArtus Suarez, LluisGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM066-31+G**-2408.27321344; Eh
thumbnail.jpeg4-Jun-201821DMFArtus Suarez, LluisGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM066-31+G**-2255.92882216; Eh
thumbnail.jpeg4-Jun-201821FArtus Suarez, LluisGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM066-31+G**-2408.26890842; Eh
Login required24-Jun-2019AcetaldehydeArtus Suarez, LluisGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM066-31+G** GEN-153.745493102; Eh
Login required18-Mar-2019Adduct_formanilide_NOArtus Suarez, LluisGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM066-31+G**-2006.39697050; Eh
Login required18-Mar-2019Adduct_formanilide_ONArtus Suarez, LluisGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM066-31+G**-2006.40091564; Eh
Login required18-Mar-2019Adduct_MethanolArtus Suarez, LluisGaussian; 09; ES64L-G09RevD.01Geometry optimization MinimumRM066-31+G**-1721.35503657; Eh
Login required18-Mar-2019Adduct_Methyl_formanilide_NOArtus Suarez, LluisGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM066-31+G**-2045.68703469; Eh
Login required18-Mar-2019Adduct_Methyl_formanilide_ONArtus Suarez, LluisGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM066-31+G**-2045.68671979; Eh
Login required18-Mar-2019Adduct_Methyl_iPrPhenolArtus Suarez, LluisGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM066-31+G**-2187.97562134; Eh