𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Effects of electron correlations in conjugated organic molecules and solids

✍ Scribed by S. Ramasesha

Publisher
Elsevier Science
Year
1989
Tongue
English
Weight
999 KB
Volume
194
Category
Article
ISSN
0022-2860

No coin nor oath required. For personal study only.

πŸ“œ SIMILAR VOLUMES

Effect of electronic correlations on rad
Effect of electronic correlations on radiative transition probabilities in molecules
✍ E. Hiroike πŸ“‚ Article πŸ“… 1972 πŸ› Elsevier Science 🌐 English βš– 298 KB

The effects of the electronic correktions on the radiative transition nutris elements are investigated theoretically. The calculation shows that the effective electronic configurations are drastically reduced by utilizing the modified H-F operator.

Effect of inclusion of electron correlat
Effect of inclusion of electron correlation in MM3 studies of cyclic conjugated compounds
✍ Tai, Julia C.; Allinger, Norman L. πŸ“‚ Article πŸ“… 1998 πŸ› John Wiley and Sons 🌐 English βš– 385 KB

Electron correlation at the Møller᎐Plesset second-order level was incorporated into the -system portion of MM3 calculations for several w x w x w x conformers of 10 annulene, 18 annulene, bicyclo 5.3.1 undecapentaene, and w x bicyclo 4.4.1 undecapentaene. The conformers with ''localized'' C-C bonds

The effect of electron correlation on th
The effect of electron correlation on the topological and atomic properties of the electron density distributions of molecules
✍ Russell J. Boyd; Liang-Chen Wang πŸ“‚ Article πŸ“… 1989 πŸ› John Wiley and Sons 🌐 English βš– 780 KB

The topological properties of the electron density and the properties of a n atom in a molecule are calculated by means of second-order Mgller-Plesset perturbation theory (MP2) and compared with the results of configuration interaction calculations (CI2) which include all single and double substitut