Optimal Selection of Partial Charge Calculation Method for Rapid Estimation of Enthalpies of Formation from Hartree−Fock Total Energy

✍ Scribed by Ruzsinszky, Adrienn; Van Alsenoy, Christian; Csonka, Gábor I.

• Book ID: 127160277
• Publisher: American Chemical Society
• Year: 2002
• Tongue: English
• Weight: 234 KB
• Volume: 106
• Category: Article
• ISSN: 1089-5639
• DOI: 10.1021/jp026913s