## Chemical shifts of K-shell electron binding energies for first-row atoms in molecules due to '.hcir different chemical environments have been obtained from double-zeta basis SCF-MO calculated ground state 1s orbital energies using Koopman's theorem. This computational procedure is valid because
✦ LIBER ✦
Estimation of electronic correlation energies and binding energies for molecules composed of first-row atoms
✍ Scribed by K. Rościszewski; M. Chaumet; P. Fulde
- Publisher
- Elsevier Science
- Year
- 1991
- Tongue
- English
- Weight
- 739 KB
- Volume
- 151
- Category
- Article
- ISSN
- 0301-0104
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