Aspects of hybrid QM/MM calculations: The treatment of the QM/MM interface region and geometry optimization with an application to chorismate mutase

✍ Scribed by Richard J. Hall; Sally A. Hindle; Neil A. Burton; Ian H. Hillier

• Publisher: John Wiley and Sons
• Year: 2000
• Tongue: English
• Weight: 183 KB
• Volume: 21
• Category: Article
• ISSN: 0192-8651
• DOI: 10.1002/1096-987x(200012)21:16<1433::aid-jcc2>3.0.co;2-p