JOURNAL OF COMPUTATIONAL CHEMISTRY,volume 36,issue 27  (10-2015)

Period of time： 2015年27期

Publisher： John Wiley & Sons Inc

Founded in： 1980

Total resources： 105

E-ISSN： 1096-987x|36|27

ISSN： 0192-8651

Subject： O Mathematical Sciences and Chemical

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JOURNAL OF COMPUTATIONAL CHEMISTRY,volume 36,issue 27

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Cover Image, Volume 36, Issue 27

JOURNAL OF COMPUTATIONAL CHEMISTRY,volume 36,issue 27 , Vol. 36, Iss. 27, 2015-10 , pp. i-ii

John Wiley & Sons Inc

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GeauxDock: A novel approach for mixed‐resolution ligand docking using a descriptor‐based force field

JOURNAL OF COMPUTATIONAL CHEMISTRY,volume 36,issue 27 , Vol. 36, Iss. 27, 2015-10 , pp. 2013-2026

John Wiley & Sons Inc

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Effect of methylation on relative energies of tautomers and on the intramolecular proton transfer barriers of protonated nitrosamine: A MR‐CISD study

JOURNAL OF COMPUTATIONAL CHEMISTRY,volume 36,issue 27 , Vol. 36, Iss. 27, 2015-10 , pp. 2027-2036

John Wiley & Sons Inc

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Modeling exact exchange potential in spherically confined atoms

JOURNAL OF COMPUTATIONAL CHEMISTRY,volume 36,issue 27 , Vol. 36, Iss. 27, 2015-10 , pp. 2037-2043

John Wiley & Sons Inc

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Enhanced stability of the model mini‐protein in amino acid ionic liquids and their aqueous solutions

JOURNAL OF COMPUTATIONAL CHEMISTRY,volume 36,issue 27 , Vol. 36, Iss. 27, 2015-10 , pp. 2044-2051

John Wiley & Sons Inc

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Parametrization of macrolide antibiotics using the force field toolkit

JOURNAL OF COMPUTATIONAL CHEMISTRY,volume 36,issue 27 , Vol. 36, Iss. 27, 2015-10 , pp. 2052-2063

John Wiley & Sons Inc

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Application of a BOSS—Gaussian interface for QM/MM simulations of Henry and methyl transfer reactions

JOURNAL OF COMPUTATIONAL CHEMISTRY,volume 36,issue 27 , Vol. 36, Iss. 27, 2015-10 , pp. 2064-2074

John Wiley & Sons Inc

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SCC‐DFTB parameters for simulating hybrid gold‐thiolates compounds

JOURNAL OF COMPUTATIONAL CHEMISTRY,volume 36,issue 27 , Vol. 36, Iss. 27, 2015-10 , pp. 2075-2087

John Wiley & Sons Inc

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Total 8 item(s)