Implementation of the SCC-DFTB Method for Hybrid QM/MM Simulations within the Amber Molecular Dynamics Package †

✍ Scribed by Seabra, Gustavo de M.; Walker, Ross C.; Elstner, Marcus; Case, David A.; Roitberg, Adrian E.

• Book ID: 125888203
• Publisher: American Chemical Society
• Year: 2007
• Tongue: English
• Weight: 410 KB
• Volume: 111
• Category: Article
• ISSN: 1089-5639
• DOI: 10.1021/jp070071l