JOURNAL OF COMPUTATIONAL CHEMISTRY,volume 36,issue 28  (10-2015)

Period of time： 2015年28期

Publisher： John Wiley & Sons Inc

Founded in： 1980

Total resources： 105

E-ISSN： 1096-987x|36|28

ISSN： 0192-8651

Subject： O Mathematical Sciences and Chemical

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JOURNAL OF COMPUTATIONAL CHEMISTRY,volume 36,issue 28

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Cover Image, Volume 36, Issue 28

JOURNAL OF COMPUTATIONAL CHEMISTRY,volume 36,issue 28 , Vol. 36, Iss. 28, 2015-10 , pp. i-ii

John Wiley & Sons Inc

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A deeper insight into strain for the sila‐bi[6]prismane (Si18H12) cluster with its endohedrally trapped silicon atom, Si19H12

JOURNAL OF COMPUTATIONAL CHEMISTRY,volume 36,issue 28 , Vol. 36, Iss. 28, 2015-10 , pp. 2089-2094

John Wiley & Sons Inc

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Strain in nonclassical silicon hydrides: An insight into the “ultrastability” of sila‐bi[6]prismane (Si18H12) cluster with the endohedrally trapped silicon atom, Si19H12

JOURNAL OF COMPUTATIONAL CHEMISTRY,volume 36,issue 28 , Vol. 36, Iss. 28, 2015-10 , pp. 2095-2102

John Wiley & Sons Inc

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Elongation method for electronic structure calculations of random DNA sequences

JOURNAL OF COMPUTATIONAL CHEMISTRY,volume 36,issue 28 , Vol. 36, Iss. 28, 2015-10 , pp. 2103-2113

John Wiley & Sons Inc

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Binding affinities by alchemical perturbation using QM/MM with a large QM system and polarizable MM model

JOURNAL OF COMPUTATIONAL CHEMISTRY,volume 36,issue 28 , Vol. 36, Iss. 28, 2015-10 , pp. 2114-2124

John Wiley & Sons Inc

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New density functional parameterizations to accurate calculations of electric field gradient variations among compounds

JOURNAL OF COMPUTATIONAL CHEMISTRY,volume 36,issue 28 , Vol. 36, Iss. 28, 2015-10 , pp. 2125-2130

John Wiley & Sons Inc

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Solid‐state reaction as a mechanism of 1T ↔ 2H transformation in MoS2 monolayers

JOURNAL OF COMPUTATIONAL CHEMISTRY,volume 36,issue 28 , Vol. 36, Iss. 28, 2015-10 , pp. 2131-2134

John Wiley & Sons Inc

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Effects of the ionization in the tautomerism of uracil: A reaction electronic flux perspective

JOURNAL OF COMPUTATIONAL CHEMISTRY,volume 36,issue 28 , Vol. 36, Iss. 28, 2015-10 , pp. 2135-2145

John Wiley & Sons Inc

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