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.
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| Title: | 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. |
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| Authors: | Teplukhin, A. V.1 (AUTHOR) tepl@impb.ru |
| Source: | Journal of Structural Chemistry. Nov2021, Vol. 62 Issue 11, p1653-1666. 14p. |
| Database: | Academic Search Ultimate |
| ISSN: | 00224766 |
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| DOI: | 10.1134/S0022476621110019 |
