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Showing results 109248 to 109267 of 111262 < previous   next >
PreviewTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetLinksEnergySolv.Vibr.Orb.
thumbnail.jpege1García Muelas, RodrigoGaussian; 09; EM64L-G09RevA.02Single point StructureRB3LYP--
thumbnail.jpege3García Muelas, RodrigoGaussian; 09; EM64L-G09RevA.02Single point StructureRB3LYP--
thumbnail.jpegE_gasFernández, VíctorGaussian; 09; EM64L-G09RevD.01Single point MinimumONIOM; M062X; UFF--983.345688212; Eh
thumbnail.jpegE_solventFernández, VíctorGaussian; 09; EM64L-G09RevD.01Single point StructureRM062X--2045.30787183; Eh
thumbnail.jpeg/empty_capsules_single_point C60_AAAA-ADF; 2013; 01Single pointDFTTZP-
thumbnail.jpeg/empty_capsules_single_point C60_AASA-ADF; 2013; 01Single pointDFTTZP-
thumbnail.jpeg/empty_capsules_single_point C60_AASB-ADF; 2013; 01Single pointDFTTZP-
thumbnail.jpeg/empty_capsules_single_point C60_ABAB-ADF; 2013; 01Single pointDFTTZP-
thumbnail.jpeg/empty_capsules_single_point C60_ABSA-ADF; 2013; 01Single pointDFTTZP-
thumbnail.jpeg/empty_capsules_single_point C60_SASA-ADF; 2013; 01Single pointDFTTZP-
thumbnail.jpeg/empty_capsules_single_point C60_SBSB-ADF; 2013; 01Single pointDFTTZP-
thumbnail.jpeg/empty_capsules_single_point C70_AAAA-ADF; 2013; 01Single pointDFTTZP-
thumbnail.jpeg/empty_capsules_single_point C70_AASA-ADF; 2013; 01Single pointDFTTZP-
thumbnail.jpeg/empty_capsules_single_point C70_AASB-ADF; 2013; 01Single pointDFTTZP-
thumbnail.jpeg/empty_capsules_single_point C70_ABAB-ADF; 2013; 01Single pointDFTTZP-
thumbnail.jpeg/empty_capsules_single_point C70_ABSA-ADF; 2013; 01Single pointDFTTZP-
thumbnail.jpeg/empty_capsules_single_point C70_SASA-ADF; 2013; 01Single pointDFTTZP-
thumbnail.jpeg/empty_capsules_single_point C70_SBSB-ADF; 2013; 01Single pointDFTTZP-
thumbnail.jpeg/empty_capsules_single_point C76_AAAA-ADF; 2013; 01Single pointDFTTZP-
thumbnail.jpeg/empty_capsules_single_point C76_AASB-ADF; 2013; 01Single pointDFTTZP-