JOURNAL OF COMPUTATIONAL CHEMISTRY,volume 36,issue 17  (06-2015)

Period of time： 2015年17期

Publisher： John Wiley & Sons Inc

Founded in： 1980

Total resources： 105

E-ISSN： 1096-987x|36|17

ISSN： 0192-8651

Subject： O Mathematical Sciences and Chemical

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JOURNAL OF COMPUTATIONAL CHEMISTRY,volume 36,issue 17

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Cover Image, Volume 36, Issue 17

JOURNAL OF COMPUTATIONAL CHEMISTRY,volume 36,issue 17 , Vol. 36, Iss. 17, 2015-06 , pp. i-ii

John Wiley & Sons Inc

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Force field‐dependent solution properties of glycine oligomers

JOURNAL OF COMPUTATIONAL CHEMISTRY,volume 36,issue 17 , Vol. 36, Iss. 17, 2015-06 , pp. 1275-1285

John Wiley & Sons Inc

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Ab initio ground‐state potential energy function and vibration‐rotation energy levels of imidogen, NH

JOURNAL OF COMPUTATIONAL CHEMISTRY,volume 36,issue 17 , Vol. 36, Iss. 17, 2015-06 , pp. 1286-1294

John Wiley & Sons Inc

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[DBU‐H]+ and H2o as effective catalyst form for 2,3‐dihydropyrido[2,3‐d]pyrimidin‐4(1H)‐ones: A DFT Study

JOURNAL OF COMPUTATIONAL CHEMISTRY,volume 36,issue 17 , Vol. 36, Iss. 17, 2015-06 , pp. 1295-1303

John Wiley & Sons Inc

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GAMPMS: Genetic algorithm managed peptide mutant screening

JOURNAL OF COMPUTATIONAL CHEMISTRY,volume 36,issue 17 , Vol. 36, Iss. 17, 2015-06 , pp. 1304-1310

John Wiley & Sons Inc

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Polarizable coarse‐grained models for molecular dynamics simulation of liquid cyclohexane

JOURNAL OF COMPUTATIONAL CHEMISTRY,volume 36,issue 17 , Vol. 36, Iss. 17, 2015-06 , pp. 1311-1321

John Wiley & Sons Inc

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A DFT study on the insertion of CO2 into styrene oxide catalyzed by 1‐butyl‐3‐methyl‐Imidazolium bromide ionic liquid

JOURNAL OF COMPUTATIONAL CHEMISTRY,volume 36,issue 17 , Vol. 36, Iss. 17, 2015-06 , pp. 1322-1333

John Wiley & Sons Inc

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Electronic, bonding, and optical properties of 1d [CuCN]n (n = 1–10) chains, 2d [CuCN]n (n = 2–10) nanorings, and 3d [Cun(CN)n]m (n = 4, m = 2, 3; n = 10, m = 2) tubes studied by DFT/TD‐DFT methods

JOURNAL OF COMPUTATIONAL CHEMISTRY,volume 36,issue 17 , Vol. 36, Iss. 17, 2015-06 , pp. 1334-1347

John Wiley & Sons Inc

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