𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Study of the electronic structure of molecules. XV. Comments on the molecular orbital valency state and on the molecular orbital energies

✍ Scribed by Enrico Clementi; Anne Routh

Publisher
John Wiley and Sons
Year
1972
Tongue
English
Weight
662 KB
Volume
6
Category
Article
ISSN
0020-7608

No coin nor oath required. For personal study only.

πŸ“œ SIMILAR VOLUMES

Selected valence electron split-shell mo
Selected valence electron split-shell molecular orbital calculations on the diatomic interhalogen molecules
✍ A. B. Sannigrahi; S. Noor Mohammad πŸ“‚ Article πŸ“… 1973 πŸ› John Wiley and Sons 🌐 English βš– 454 KB

## Abstract Selected valence electron split‐shell molecular orbital calculations have been performed on the diatomic interhalogen molecules in order to obtain their binding energies, equilibrium internuclear distances, vibrational force constants, dipole moments and nuclear quadrupole coupling cons

Molecular orbital calculations of the el
Molecular orbital calculations of the electronic structure of the sydnones
✍ Lemont B. Kier; Edward B. Roche πŸ“‚ Article πŸ“… 1966 πŸ› John Wiley and Sons 🌐 English βš– 559 KB

The electronic structure of the sydnone ring has been calculated from an w-HMO technique. Several new parameters for the calculation have been derived, in conjunction with previously used parameters. Charge densities derived have yielded accurate calculations of dipole moments. Energy levels have yi

The effect of d-functions on molecular o
The effect of d-functions on molecular orbital energies for hydrocarbons
✍ P.C. Hariharan; J.A. Pople πŸ“‚ Article πŸ“… 1972 πŸ› Elsevier Science 🌐 English βš– 227 KB

Ab initio molecular orbital studies irxluding d-functions in the basis set have been made cn methane, acetylene, ethylene, ethane, propyne, allene, cyclopropene, propene and cyclopropane. It is shown that the stained cyclic molecules cyclopropene and cyclopropane are preferentially stabi!ized by the