JOURNAL OF COMPUTATIONAL CHEMISTRY,volume 36,issue 14  (05-2015)

Period of time： 2015年14期

Publisher： John Wiley & Sons Inc

Founded in： 1980

Total resources： 105

E-ISSN： 1096-987x|36|14

ISSN： 0192-8651

Subject： O Mathematical Sciences and Chemical

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JOURNAL OF COMPUTATIONAL CHEMISTRY,volume 36,issue 14

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Cover Image, Volume 36, Issue 14

JOURNAL OF COMPUTATIONAL CHEMISTRY,volume 36,issue 14 , Vol. 36, Iss. 14, 2015-05 , pp. i-ii

John Wiley & Sons Inc

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Are the reduction and oxidation properties of nitrocompounds dissolved in water different from those produced when adsorbed on a silica surface? A DFT M05‐2X computational study

JOURNAL OF COMPUTATIONAL CHEMISTRY,volume 36,issue 14 , Vol. 36, Iss. 14, 2015-05 , pp. 1029-1035

John Wiley & Sons Inc

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A cascaded QSAR model for efficient prediction of overall power conversion efficiency of all‐organic dye‐sensitized solar cells

JOURNAL OF COMPUTATIONAL CHEMISTRY,volume 36,issue 14 , Vol. 36, Iss. 14, 2015-05 , pp. 1036-1046

John Wiley & Sons Inc

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LS‐VISM: A software package for analysis of biomolecular solvation

JOURNAL OF COMPUTATIONAL CHEMISTRY,volume 36,issue 14 , Vol. 36, Iss. 14, 2015-05 , pp. 1047-1059

John Wiley & Sons Inc

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Gradient gravitational search: An efficient metaheuristic algorithm for global optimization

JOURNAL OF COMPUTATIONAL CHEMISTRY,volume 36,issue 14 , Vol. 36, Iss. 14, 2015-05 , pp. 1060-1068

John Wiley & Sons Inc

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Protein alignment: Exact versus approximate. An illustration

JOURNAL OF COMPUTATIONAL CHEMISTRY,volume 36,issue 14 , Vol. 36, Iss. 14, 2015-05 , pp. 1069-1074

John Wiley & Sons Inc

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Revisiting the extrapolation of correlation energies to complete basis set limit

JOURNAL OF COMPUTATIONAL CHEMISTRY,volume 36,issue 14 , Vol. 36, Iss. 14, 2015-05 , pp. 1075-1082

John Wiley & Sons Inc

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Robustness in the fitting of molecular mechanics parameters

JOURNAL OF COMPUTATIONAL CHEMISTRY,volume 36,issue 14 , Vol. 36, Iss. 14, 2015-05 , pp. 1083-1101

John Wiley & Sons Inc

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Total 8 item(s)