𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Application of self consistent reaction field theory to thermally induced exothermic reaction in energetic molecules

✍ Scribed by Michael Miller; Frank J. Owens


Book ID
116380150
Publisher
Elsevier
Year
2012
Tongue
English
Weight
395 KB
Volume
989
Category
Article
ISSN
2210-271X

No coin nor oath required. For personal study only.


πŸ“œ SIMILAR VOLUMES


The optimized ellisoidal cavity and its
✍ George P. Ford; Bingze Wang πŸ“‚ Article πŸ“… 1992 πŸ› John Wiley and Sons 🌐 English βš– 1007 KB

## Abstract An optimized ellipsoidal cavity has been defined for use in self‐consistent reaction field (SCRF) calculations for the incorporation of aqueous medium effects. The location, size, and orientation of the cavity is obtained by minimizing the average interaction between the solute and a si

Macroscopic solvent polarization-induced
✍ Chitrani Medhi; S. P. Bhattacharyya πŸ“‚ Article πŸ“… 1998 πŸ› John Wiley and Sons 🌐 English βš– 321 KB πŸ‘ 2 views

A detailed study of the type and extent of electronic reorganization created by macroscopic solvation of a prototypical carbonyl solute is carried out within the framework of the semiempirical multiconfiguration self-consistent reaction-field model. The solvation causes additional polarization of th