Calculation of Heats of Formation for Zn Complexes: Comparison of Density Functional Theory, Second Order Perturbation Theory, Coupled-Cluster and Complete Active Space Methods

✍ Scribed by Weaver, Michael N.; Merz, Kenneth M.; Ma, Dongxia; Kim, Hyun Jung; Gagliardi, Laura

• Book ID: 121382046
• Publisher: American Chemical Society
• Year: 2013
• Tongue: English
• Weight: 797 KB
• Volume: 9
• Category: Article
• ISSN: 1549-9618
• DOI: 10.1021/ct400856g