✦ LIBER ✦
Incorporation of bond-length constraints in Monte Carlo simulations of cyclic and linear molecules: Conformational sampling for cyclic alkanes as test systems
✍ Scribed by Alexander J. Pertsin; Jutta Hahn; Hans P. Grossmann
- Publisher
- John Wiley and Sons
- Year
- 1994
- Tongue
- English
- Weight
- 481 KB
- Volume
- 15
- Category
- Article
- ISSN
- 0192-8651
No coin nor oath required. For personal study only.
✦ Synopsis
A simple method for incorporating bond-length constraints in Monte Carlo simulations of cyclic and linear molecules is described. As an example, the conformational behavior of five even-numbered cyclic alkanes is studied using Monte Carlo simulation and the MM2 force field.