JOURNAL OF COMPUTATIONAL CHEMISTRY,volume 36,issue 19  (07-2015)

Period of time： 2015年19期

Publisher： John Wiley & Sons Inc

Founded in： 1980

Total resources： 105

E-ISSN： 1096-987x|36|19

ISSN： 0192-8651

Subject： O Mathematical Sciences and Chemical

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JOURNAL OF COMPUTATIONAL CHEMISTRY,volume 36,issue 19

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Cover Image, Volume 36, Issue 19

JOURNAL OF COMPUTATIONAL CHEMISTRY,volume 36,issue 19 , Vol. 36, Iss. 19, 2015-07 , pp. i-ii

John Wiley & Sons Inc

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Mode‐tracking based stationary‐point optimization

JOURNAL OF COMPUTATIONAL CHEMISTRY,volume 36,issue 19 , Vol. 36, Iss. 19, 2015-07 , pp. 1429-1438

John Wiley & Sons Inc

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First‐principle modelling of forsterite surface properties: Accuracy of methods and basis sets

JOURNAL OF COMPUTATIONAL CHEMISTRY,volume 36,issue 19 , Vol. 36, Iss. 19, 2015-07 , pp. 1439-1445

John Wiley & Sons Inc

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Replica state exchange metadynamics for improving the convergence of free energy estimates

JOURNAL OF COMPUTATIONAL CHEMISTRY,volume 36,issue 19 , Vol. 36, Iss. 19, 2015-07 , pp. 1446-1455

John Wiley & Sons Inc

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A hierarchical algorithm for molecular similarity (H‐FORMS)

JOURNAL OF COMPUTATIONAL CHEMISTRY,volume 36,issue 19 , Vol. 36, Iss. 19, 2015-07 , pp. 1456-1466

John Wiley & Sons Inc

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Structure and stability of supramolecular crown ether complexes

JOURNAL OF COMPUTATIONAL CHEMISTRY,volume 36,issue 19 , Vol. 36, Iss. 19, 2015-07 , pp. 1467-1472

John Wiley & Sons Inc

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Implementation of extended Lagrangian dynamics in GROMACS for polarizable simulations using the classical Drude oscillator model

JOURNAL OF COMPUTATIONAL CHEMISTRY,volume 36,issue 19 , Vol. 36, Iss. 19, 2015-07 , pp. 1473-1479

John Wiley & Sons Inc

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Pteros 2.0: Evolution of the fast parallel molecular analysis library for C++ and python

JOURNAL OF COMPUTATIONAL CHEMISTRY,volume 36,issue 19 , Vol. 36, Iss. 19, 2015-07 , pp. 1480-1488

John Wiley & Sons Inc

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Total 8 item(s)