Free Energy Perturbation Calculations with Combined QM/MM Potentials Complications, Simplifications, and Applications to Redox Potential Calculations

✍ Scribed by Li, Guohui; Zhang, Xiaodong; Cui, Qiang

• Book ID: 115507002
• Publisher: American Chemical Society
• Year: 2003
• Tongue: English
• Weight: 408 KB
• Volume: 107
• Category: Article
• ISSN: 0022-3654
• DOI: 10.1021/jp034286g