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Atomic orbital deformation in bond formation: energy effects

✍ Scribed by Eric Magnusson


Publisher
Elsevier Science
Year
1986
Tongue
English
Weight
510 KB
Volume
131
Category
Article
ISSN
0009-2614

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πŸ“œ SIMILAR VOLUMES


Atomic orbital energy matching in doubly
✍ R. Ferreira πŸ“‚ Article πŸ“… 1968 πŸ› Elsevier Science 🌐 English βš– 135 KB

Atomic orbital energy matching is a valid criterion of bond strength only for haifdilkd molec&xr orbitals. Doubly occupied molecular orbitals built from atomic orbital9 differing in energies may be strongly bonding due to high ionic bond-orders.

Molecular orbital theory of the hydrogen
✍ Janet E. Del Bene πŸ“‚ Article πŸ“… 1976 πŸ› Elsevier Science 🌐 English βš– 332 KB

Ab initio 3CF and SCP Cl caJcuJatjons ~4th Zhe STO-3C basis set have been pcrformcd in this study of the effect of jntramolccubr hydrogen bonding on n orbital cncrgjcs and n -r I?\* transition encrgiw in ,&hydroxyacrofcin. In the hydrogen bonded C, form, the n orbital is stabWed and the n -+ s\* tnn

Spin–orbit and dispersion energy effects
✍ M. Krauss; W. J. Stevens; P. S. Julienne πŸ“‚ Article πŸ“… 1982 πŸ› John Wiley and Sons 🌐 English βš– 846 KB

## Abstract Spin–orbit and dispersion energy contributions to the energy curves of XeF are examined. A rapid variation in the spin–orbit coupling with internuclear separation is found for both the ground and excited states. This result can explain the experimentally observed ordering of the ionic e