𝔖 Bobbio Scriptorium
✦   LIBER   ✦

A quantum model of restricted vibrational energy flow on the way to the transition state in unimolecular reactions

✍ Scribed by Leitner, David M.; Gruebele, Martin


Book ID
120406452
Publisher
Taylor and Francis Group
Year
2008
Tongue
English
Weight
726 KB
Volume
106
Category
Article
ISSN
0026-8976

No coin nor oath required. For personal study only.


πŸ“œ SIMILAR VOLUMES


On the quadratic reaction path evaluated
✍ Josep Maria Anglada; Emili BesalΓΊ; Josep Maria Bofill; Ramon Crehuet πŸ“‚ Article πŸ“… 2001 πŸ› John Wiley and Sons 🌐 English βš– 334 KB πŸ‘ 2 views

Knowledge of the location of saddle points is crucial to the study the chemical reactivity. Using a path following method defined in a reduced potential energy surface, and starting at either the reactant or product region, we propose an algorithm that locates the corresponding saddle point. The red

Adamantanone : A model to assess the pos
✍ P. Geneste; G. Lamaty; C. Moreau; J-P. Roque πŸ“‚ Article πŸ“… 1970 πŸ› Elsevier Science 🌐 French βš– 218 KB

As we haVe previously pointed out], the position of the Transition State along the reaction coordinate is a matter of controversy among workers in the field of nucleophilic addition reactions to carbonyl compounds. Some authors claim that the transition state is always "Reactant-like" whatever may b