Ab initio QM/MM simulations with a molecular orbital-valence bond (MOVB) method: application to an SN2 reaction in water

✍ Scribed by Yirong Mo; Jiali Gao

• Publisher: John Wiley and Sons
• Year: 2000
• Tongue: English
• Weight: 266 KB
• Volume: 21
• Category: Article
• ISSN: 0192-8651
• DOI: 10.1002/1096-987x(200012)21:16<1458::aid-jcc4>3.0.co;2-2