JOURNAL OF COMPUTATIONAL CHEMISTRY,volume 36,issue 30  (11-2015)

Period of time： 2015年30期

Publisher： John Wiley & Sons Inc

Founded in： 1980

Total resources： 105

E-ISSN： 1096-987x|36|30

ISSN： 0192-8651

Subject： O Mathematical Sciences and Chemical

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JOURNAL OF COMPUTATIONAL CHEMISTRY,volume 36,issue 30

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Cover Image, Volume 36, Issue 30

JOURNAL OF COMPUTATIONAL CHEMISTRY,volume 36,issue 30 , Vol. 36, Iss. 30, 2015-11 , pp. i-ii

John Wiley & Sons Inc

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Assessment and acceleration of binding energy calculations for protein–ligand complexes by the fragment molecular orbital method

JOURNAL OF COMPUTATIONAL CHEMISTRY,volume 36,issue 30 , Vol. 36, Iss. 30, 2015-11 , pp. 2209-2218

John Wiley & Sons Inc

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Ab Initio spectroscopic characterization of borane, BH, in its X1Σ+ electronic state

JOURNAL OF COMPUTATIONAL CHEMISTRY,volume 36,issue 30 , Vol. 36, Iss. 30, 2015-11 , pp. 2219-2227

John Wiley & Sons Inc

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Thiol versus hydroxamate as zinc binding group in HDAC inhibition: An Ab initioQM/MM molecular dynamics study

JOURNAL OF COMPUTATIONAL CHEMISTRY,volume 36,issue 30 , Vol. 36, Iss. 30, 2015-11 , pp. 2228-2235

John Wiley & Sons Inc

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Multiparticle moves in acceptance rate optimized monte carlo

JOURNAL OF COMPUTATIONAL CHEMISTRY,volume 36,issue 30 , Vol. 36, Iss. 30, 2015-11 , pp. 2236-2245

John Wiley & Sons Inc

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A new extension of the polarizable continuum model: Toward a quantum chemical description of chemical reactions at extreme high pressure

JOURNAL OF COMPUTATIONAL CHEMISTRY,volume 36,issue 30 , Vol. 36, Iss. 30, 2015-11 , pp. 2246-2259

John Wiley & Sons Inc

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Water solvent effects using continuum and discrete models: The nitromethane molecule, CH3NO2

JOURNAL OF COMPUTATIONAL CHEMISTRY,volume 36,issue 30 , Vol. 36, Iss. 30, 2015-11 , pp. 2260-2269

John Wiley & Sons Inc

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Erratum to Csonka, G. I., Nguyen, N. A.,

JOURNAL OF COMPUTATIONAL CHEMISTRY,volume 36,issue 30 , Vol. 36, Iss. 30, 2015-11 , pp. 2270-2270

John Wiley & Sons Inc

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Total 8 item(s)