Treatment of rotational isomers in free energy calculations. II. Molecular dynamics simulation study of 18-crown-6 in aqueous solution as an example of systems with large numbers of rotational isomeric states
Straatsma, T. P.; McCammon, J. A.
- 期刊名称The Journal of Chemical Physics
- 作者Straatsma, T. P.; McCammon, J. A.
- 卷第91卷
- 期第6期
- 印刷ISSN0021-9606
- 文件大小759.75KB
- 发表时间1989
- DOI10.1063/1.456896