Constraining the electron densities in DFT method as an effective way for ab initio studies of metal-catalyzed reactions

✍ Scribed by Gongyi Hong; Marek Strajbl; Tomasz A. Wesolowski; Arieh Warshel

• Publisher: John Wiley and Sons
• Year: 2000
• Tongue: English
• Weight: 377 KB
• Volume: 21
• Category: Article
• ISSN: 0192-8651
• DOI: 10.1002/1096-987x(200012)21:16<1554::aid-jcc12>3.0.co;2-i