Optimization of quantum mechanical molecular mechanical partitioning schemes: Gaussian delocalization of molecular mechanical charges and the double link atom method

✍ Scribed by Das, Debananda; Eurenius, Kirsten P.; Billings, Eric M.; Sherwood, Paul; Chatfield, David C.; Hodošček, Milan; Brooks, Bernard R.

• Book ID: 121386941
• Publisher: American Institute of Physics
• Year: 2002
• Tongue: English
• Weight: 358 KB
• Volume: 117
• Category: Article
• ISSN: 0021-9606
• DOI: 10.1063/1.1520134