1. Barcelona Supercomputing Center

Browsing by Subject Azaadamantanes

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Showing results 61 to 80 of 82 < previous   next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg7-Dec-2021Cl_prot_amineLaconsay, CroixGaussian; 09; AM64L-G09RevD.01Single point StructureRM062X6-311+G(D,P)-
thumbnail.jpeg7-Dec-2021Cl_prot_ketLaconsay, CroixGaussian; 09; AM64L-G09RevD.01Single point StructureRM062X6-311+G(D,P)-
thumbnail.jpeg7-Dec-2021cyclohexLaconsay, CroixGaussian; 09; AM64L-G09RevD.01Single point StructureRM062X6-311+G(D,P)-
thumbnail.jpeg7-Dec-2021cyclohexeneLaconsay, CroixGaussian; 09; AM64L-G09RevD.01Single point StructureRM062X6-311+G(D,P)-
thumbnail.jpeg7-Dec-2021FLaconsay, CroixGaussian; 09; AM64L-G09RevD.01Single point StructureRM062X6-311+G(D,P)-
thumbnail.jpeg7-Dec-2021F_prot_amineLaconsay, CroixGaussian; 09; AM64L-G09RevD.01Single point StructureRM062X6-311+G(D,P)-
thumbnail.jpeg7-Dec-2021F_prot_ketLaconsay, CroixGaussian; 09; AM64L-G09RevD.01Single point StructureRM062X6-311+G(D,P)-
thumbnail.jpeg7-Dec-2021HLaconsay, CroixGaussian; 09; AM64L-G09RevD.01Single point StructureRM062X6-311+G(D,P)-
thumbnail.jpeg7-Dec-2021H_prot_amineLaconsay, CroixGaussian; 09; AM64L-G09RevD.01Single point StructureRM062X6-311+G(D,P)-
thumbnail.jpeg7-Dec-2021H_prot_ketLaconsay, CroixGaussian; 09; AM64L-G09RevD.01Single point StructureRM062X6-311+G(D,P)-
thumbnail.jpeg7-Dec-2021NH2Laconsay, CroixGaussian; 09; AM64L-G09RevD.01Single point StructureRM062X6-311+G(D,P)-
thumbnail.jpeg7-Dec-2021NH2_prot_amineLaconsay, CroixGaussian; 09; AM64L-G09RevD.01Single point StructureRM062X6-311+G(D,P)-
thumbnail.jpeg7-Dec-2021NH2_prot_ketLaconsay, CroixGaussian; 09; AM64L-G09RevD.01Single point StructureRM062X6-311+G(D,P)-
thumbnail.jpeg7-Dec-2021NO2Laconsay, CroixGaussian; 09; AM64L-G09RevD.01Single point StructureRM062X6-311+G(D,P)-
thumbnail.jpeg7-Dec-2021NO2_prot_amineLaconsay, CroixGaussian; 09; AM64L-G09RevD.01Single point StructureRM062X6-311+G(D,P)-
thumbnail.jpeg7-Dec-2021NO2_prot_ketLaconsay, CroixGaussian; 09; AM64L-G09RevD.01Single point StructureRM062X6-311+G(D,P)-
thumbnail.jpeg7-Dec-2021OCH3_prot_amineLaconsay, CroixGaussian; 09; AM64L-G09RevD.01Single point StructureRM062X6-311+G(D,P)-
thumbnail.jpeg7-Dec-2021OCH3_prot_ketLaconsay, CroixGaussian; 09; AM64L-G09RevD.01Single point StructureRM062X6-311+G(D,P)-
thumbnail.jpeg7-Dec-2021piperidineLaconsay, CroixGaussian; 09; AM64L-G09RevD.01Single point StructureRM062X6-311+G(D,P)-
thumbnail.jpeg7-Dec-2021prot_pipLaconsay, CroixGaussian; 09; AM64L-G09RevD.01Single point StructureRM062X6-311+G(D,P)-
Showing results 61 to 80 of 82 < previous   next >