𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Force and virial of torsional-angle-dependent potentials

✍ Scribed by H. Bekker; H. J. C. Berendsen; W. F. van Gunsteren

Book ID
102307044
Publisher
John Wiley and Sons
Year
1995
Tongue
English
Weight
432 KB
Volume
16
Category
Article
ISSN
0192-8651

No coin nor oath required. For personal study only.

✦ Synopsis

Simple expressions for the forces due to dihedral-angle interactions are derived using first principles of mechanics. The expressions require significantly fewer numerical operations than those generally used in the literature and provide insight into the physics of dihedral-angle interactions. It is also shown that the scalar virial due to angle-dependent interactions is zero. & Sons, Inc.

πŸ“œ SIMILAR VOLUMES

Torsional Angle Definitions and Linear a
Torsional Angle Definitions and Linear and Quadratic Force Field Variations along the Torsional Coordinate for CH3OH and CH3CHO
✍ Li-Hong Xu; Jon T. Hougen; Ronald M. Lees; Mirza A. Mekhtiev πŸ“‚ Article πŸ“… 2002 πŸ› Elsevier Science 🌐 English βš– 211 KB

This paper concerns itself primarily with three questions: (i) What is the range of commonly used definitions for the internal rotation angle, and how do variations within this range affect intercomparisons among results from various laboratories? (ii) Do the force-constant and projected-frequency v