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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

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
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