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First-Order Wavefunctions, Orbital Correlation Energies, and Electron Affinities of First-Row Atoms

✍ Scribed by Schaefer, Henry F.


Book ID
121272201
Publisher
American Institute of Physics
Year
1969
Tongue
English
Weight
843 KB
Volume
51
Category
Article
ISSN
0021-9606

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πŸ“œ SIMILAR VOLUMES


ESCA: chemical shifts of K-shell electro
✍ Harold Basch; Lawrence C. Snyder πŸ“‚ Article πŸ“… 1969 πŸ› Elsevier Science 🌐 English βš– 373 KB

## 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