Systematic Comparison of Second-Order Polarization Propagator Approximation (SOPPA) and Equation-of-Motion Coupled Cluster Singles and Doubles (EOM-CCSD) Spin−Spin Coupling Constants for Molecules with C, N, and O Double and Triple Bonds and Selected F-Substituted Derivatives

✍ Scribed by Del Bene, Janet E.; Alkorta, Ibon; Elguero, José

• Book ID: 126969489
• Publisher: American Chemical Society
• Year: 2008
• Tongue: English
• Weight: 568 KB
• Volume: 5
• Category: Article
• ISSN: 1549-9618
• DOI: 10.1021/ct800321b