JOURNAL OF COMPUTATIONAL CHEMISTRY,volume 36,issue 15  (06-2015)

Period of time： 2015年15期

Publisher： John Wiley & Sons Inc

Founded in： 1980

Total resources： 105

E-ISSN： 1096-987x|36|15

ISSN： 0192-8651

Subject： O Mathematical Sciences and Chemical

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JOURNAL OF COMPUTATIONAL CHEMISTRY,volume 36,issue 15

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Cover Image, Volume 36, Issue 15

JOURNAL OF COMPUTATIONAL CHEMISTRY,volume 36,issue 15 , Vol. 36, Iss. 15, 2015-06 , pp. i-ii

John Wiley & Sons Inc

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An anisotropic coarse‐grained model based on Gay–Berne and electric multipole potentials and its application to simulate a DMPC bilayer in an implicit solvent model

JOURNAL OF COMPUTATIONAL CHEMISTRY,volume 36,issue 15 , Vol. 36, Iss. 15, 2015-06 , pp. 1103-1113

John Wiley & Sons Inc

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Solvents effects on the mechanism of cellulose hydrolysis: A QM/MM study

JOURNAL OF COMPUTATIONAL CHEMISTRY,volume 36,issue 15 , Vol. 36, Iss. 15, 2015-06 , pp. 1114-1123

John Wiley & Sons Inc

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Toward assessment of density functionals for vibronic coupling in two‐photon absorption: A case study of 4‐nitroaniline

JOURNAL OF COMPUTATIONAL CHEMISTRY,volume 36,issue 15 , Vol. 36, Iss. 15, 2015-06 , pp. 1124-1131

John Wiley & Sons Inc

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DOCK 6: Impact of new features and current docking performance

JOURNAL OF COMPUTATIONAL CHEMISTRY,volume 36,issue 15 , Vol. 36, Iss. 15, 2015-06 , pp. 1132-1156

John Wiley & Sons Inc

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Using bonding to guide transition state optimization

JOURNAL OF COMPUTATIONAL CHEMISTRY,volume 36,issue 15 , Vol. 36, Iss. 15, 2015-06 , pp. 1157-1166

John Wiley & Sons Inc

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Bridging organometallics and quantum chemical topology: Understanding electronic relocalisation during palladium‐catalyzed reductive elimination

JOURNAL OF COMPUTATIONAL CHEMISTRY,volume 36,issue 15 , Vol. 36, Iss. 15, 2015-06 , pp. 1167-1175

John Wiley & Sons Inc

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Interaction potential models for bulk Zns, Zns nanoparticle, and Zns nanoparticle‐PMMA from first‐principles

JOURNAL OF COMPUTATIONAL CHEMISTRY,volume 36,issue 15 , Vol. 36, Iss. 15, 2015-06 , pp. 1176-1186

John Wiley & Sons Inc

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Total 8 item(s)