Importance of Anharmonicity, Recrossing Effects, and Quantum Mechanical Tunneling in Transition State Theory with Semiclassical Tunneling. A Test Case: The H 2 + Cl Hydrogen Abstraction Reaction †

✍ Scribed by Sansón, Jorge A.; Sánchez, María-Luz; Corchado, José C.

• Book ID: 121213011
• Publisher: American Chemical Society
• Year: 2006
• Tongue: English
• Weight: 185 KB
• Volume: 110
• Category: Article
• ISSN: 1089-5639
• DOI: 10.1021/jp052849d