𝔖 Bobbio Scriptorium
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Generation of Orbitals that Control Molecular Reactivity: Projected Reactive Orbital Approach

✍ Scribed by Hirao, Hajime; Ohwada, Tomohiko

Book ID
121880180
Publisher
American Chemical Society
Year
2005
Tongue
English
Weight
156 KB
Volume
109
Category
Article
ISSN
1089-5639

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πŸ“œ SIMILAR VOLUMES

Molecular orbital calculation of monomer
Molecular orbital calculation of monomer reactivity ratios
✍ Levinson, G. S. πŸ“‚ Article πŸ“… 1962 πŸ› John Wiley and Sons βš– 620 KB

## Abstract The simple molecular orbital method is employed to calculate transition‐state conjugation energies which correlate well with observed monomer reactivity ratios. An examination of the model discloses the reasons it is possible to neglect both electronic repulsion and the fact that transi

Hybrid molecular orbitals for reacting s
Hybrid molecular orbitals for reacting systems. Elucidation of reactive domains
✍ Hiroshi Fujimoto; Nobuaki Koga; Masayuki Endo; Kenichi Fukui πŸ“‚ Article πŸ“… 1981 πŸ› Elsevier Science 🌐 French βš– 211 KB

A pair of orbital transformations is suggested to provide a simple criterion to interpret the pathway of nonpolar reactions and to elucidate the reactive domains for-competitive reactions.