Browsing by Subject Hydride shift

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Showing results 1 to 20 of 697  next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg3-Feb-2025h2oGarcia Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XD6-31+G(D,P)-76.4095321400; Eh
thumbnail.jpeg3-Feb-2025prod0-0beckmGarcia Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XD6-31+G(D,P)-93.6742530044; Eh
thumbnail.jpeg3-Feb-2025prod0-10beckmGarcia Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XD6-31+G(D,P)-439.221028513; Eh
thumbnail.jpeg3-Feb-2025prod0-1beckmGarcia Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XD6-31+G(D,P)-133.023888229; Eh
thumbnail.jpeg3-Feb-2025prod0-2beckmGarcia Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XD6-31+G(D,P)-172.334325655; Eh
thumbnail.jpeg3-Feb-2025prod0-3beckmGarcia Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XD6-31+G(D,P)-210.396113160; Eh
thumbnail.jpeg3-Feb-2025prod0-4beckmGarcia Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XD6-31+G(D,P)-271.529173860; Eh
thumbnail.jpeg3-Feb-2025prod0-5beckmGarcia Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XD6-31+G(D,P)-469.969583696; Eh
thumbnail.jpeg3-Feb-2025prod0-6beckmGarcia Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XD6-31+G(D,P)-247.496290310; Eh
thumbnail.jpeg3-Feb-2025prod0-8beckmGarcia Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XD6-31+G(D,P)-324.714448420; Eh
thumbnail.jpeg3-Feb-2025prod0-9beckmGarcia Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XD6-31+G(D,P)-340.724972335; Eh
thumbnail.jpeg3-Feb-2025prod1-0beckmGarcia Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XD6-31+G(D,P)-133.005466346; Eh
thumbnail.jpeg3-Feb-2025prod1-10beckmGarcia Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XD6-31+G(D,P)-478.539284257; Eh
thumbnail.jpeg3-Feb-2025prod1-1beckmGarcia Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XD6-31+G(D,P)-172.348151958; Eh
thumbnail.jpeg3-Feb-2025prod1-2beckmGarcia Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XD6-31+G(D,P)-211.657529051; Eh
thumbnail.jpeg3-Feb-2025prod1-3beckmGarcia Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XD6-31+G(D,P)-249.719217555; Eh
thumbnail.jpeg3-Feb-2025prod1-4beckmGarcia Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XD6-31+G(D,P)-310.853852712; Eh
thumbnail.jpeg3-Feb-2025prod1-5beckmGarcia Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XD6-31+G(D,P)-509.296575725; Eh
thumbnail.jpeg3-Feb-2025prod1-6beckmGarcia Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XD6-31+G(D,P)-286.821661030; Eh
thumbnail.jpeg3-Feb-2025prod1-8beckmGarcia Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XD6-31+G(D,P)-364.034885359; Eh