A method for the calculation of rate constants of bimolecular reactions for an arbitrary type of spherically isotropic transfer probabilities and the interaction potentials between reagents has been developed. On the basis of this method, an integral representation of upper and lower bounds for quen
Approximate upper bound for two-electron integrals of molecular orbitals
✍ Scribed by Jānos Pipek
- Publisher
- Elsevier Science
- Year
- 1984
- Tongue
- English
- Weight
- 296 KB
- Volume
- 111
- Category
- Article
- ISSN
- 0009-2614
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