PARAMETRIZATION OF THE TORSION POTENTIAL IN ALL-ATOM MODELS OF HYDROCARBON MOLECULES USING A SIMPLIFIED EXPRESSION FOR THE DEFORMATION ENERGY OF VALENCE BONDS AND ANGLES-Reference-Cited by-同舟云学术

PARAMETRIZATION OF THE TORSION POTENTIAL IN ALL-ATOM MODELS OF HYDROCARBON MOLECULES USING A SIMPLIFIED EXPRESSION FOR THE DEFORMATION ENERGY OF VALENCE BONDS AND ANGLES

Published:2021-11 Issue:11 Volume:62 Page:1653-1666
ISSN:0022-4766
Container-title:Journal of Structural Chemistry
language:en
Short-container-title:J Struct Chem

Author:

Teplukhin A. V.

Publisher

Pleiades Publishing Ltd

Subject

Materials Chemistry,Inorganic Chemistry,Physical and Theoretical Chemistry

Link

https://link.springer.com/content/pdf/10.1134/S0022476621110019.pdf

Reference60 articles.

1. A. V. Teplukhin. J. Struct. Chem., 2021, 62(1), 70. https://doi.org/10.1134/S002247662101008X

2. A. V. Teplukhin. Polym. Sci., Ser. C, 2013, 55, 103. https://doi.org/10.1134/S1811238213050044

3. N. A. Metropolis and S. Ulam. J. Am. Stat. Assoc., 1949, 44, 335. https://doi.org/10.1080/01621459.1949.10483310

4. N. A. Metropolis, A. W. Rosenbluth, M. N. Rosenbluth, and A. H. Teller. J. Chem. Phys., 1953, 21, 1087. https://doi.org/10.1063/1.1699114

5. W. L. Jorgensen, D. S. Maxwell, and J. Tirado-Rives. J. Am. Chem. Soc., 1996, 118, 11225. https://doi.org/10.1021/ja9621760

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