JOURNAL OF COMPUTATIONAL CHEMISTRY,volume 36,issue 32  (12-2015)

Period of time： 2015年32期

Publisher： John Wiley & Sons Inc

Founded in： 1980

Total resources： 105

E-ISSN： 1096-987x|36|32

ISSN： 0192-8651

Subject： O Mathematical Sciences and Chemical

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JOURNAL OF COMPUTATIONAL CHEMISTRY,volume 36,issue 32

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Cover Image, Volume 36, Issue 32

JOURNAL OF COMPUTATIONAL CHEMISTRY,volume 36,issue 32 , Vol. 36, Iss. 32, 2015-12 , pp. i-ii

John Wiley & Sons Inc

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Prediction of conformationally dependent atomic multipole moments in carbohydrates

JOURNAL OF COMPUTATIONAL CHEMISTRY,volume 36,issue 32 , Vol. 36, Iss. 32, 2015-12 , pp. 2361-2373

John Wiley & Sons Inc

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A CASSCF/CASPT2 insight into excited‐state intramolecular proton transfer of four imidazole derivatives

JOURNAL OF COMPUTATIONAL CHEMISTRY,volume 36,issue 32 , Vol. 36, Iss. 32, 2015-12 , pp. 2374-2380

John Wiley & Sons Inc

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Statistical investigation of surface bound ions and further development of BION server to include pH and salt dependence

JOURNAL OF COMPUTATIONAL CHEMISTRY,volume 36,issue 32 , Vol. 36, Iss. 32, 2015-12 , pp. 2381-2393

John Wiley & Sons Inc

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Treatment of delocalized electron transfer in periodic and embedded cluster DFT calculations: The case of Cu on ZnO (101¯0)

JOURNAL OF COMPUTATIONAL CHEMISTRY,volume 36,issue 32 , Vol. 36, Iss. 32, 2015-12 , pp. 2394-2405

John Wiley & Sons Inc

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Comparison of the accuracy of periodic reaction field methods in molecular dynamics simulations of a model liquid crystal system

JOURNAL OF COMPUTATIONAL CHEMISTRY,volume 36,issue 32 , Vol. 36, Iss. 32, 2015-12 , pp. 2406-2411

John Wiley & Sons Inc

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Interplay between tetrel and triel bonds in RC6H4CN⋯MF3CN⋯BX3 complexes: A combined symmetry‐adapted perturbation theory, Møller‐Plesset, and quantum theory of atoms‐in‐molecules study

JOURNAL OF COMPUTATIONAL CHEMISTRY,volume 36,issue 32 , Vol. 36, Iss. 32, 2015-12 , pp. 2412-2428

John Wiley & Sons Inc

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Erratum: Properties of atoms in electronically excited molecules within the formalism of TDDFT [J. Comput Chem. 2014, 35, 820–828]

JOURNAL OF COMPUTATIONAL CHEMISTRY,volume 36,issue 32 , Vol. 36, Iss. 32, 2015-12 , pp. 2429-2429

John Wiley & Sons Inc

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