𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Calculation of solid state molecular ionisation energies and electron affinities for organic semiconductors

✍ Scribed by P.E. Schwenn; P.L. Burn; B.J. Powell


Publisher
Elsevier Science
Year
2011
Tongue
English
Weight
396 KB
Volume
12
Category
Article
ISSN
1566-1199

No coin nor oath required. For personal study only.


πŸ“œ SIMILAR VOLUMES


Symmetrized program for calculating ener
✍ V. Hoffstein; D.K. Ray; M. Belakhovsky πŸ“‚ Article πŸ“… 1972 πŸ› Elsevier Science 🌐 English βš– 714 KB

## Nature of the physical problem Restrictions on the complexity of the problem The program calculates the energy bands and electronic Limited to cubic lattices. structure ofsolids. It is written to include two different atoms per unit cell. Typical running time 9 seconds per point for a 3 by 3 S

Localized electron pair theory for the c
✍ J.M. Cullen πŸ“‚ Article πŸ“… 1992 πŸ› John Wiley and Sons 🌐 English βš– 743 KB

The quantum mechanical energy is examined in which groups of one, two, three, and four localized electron pairs found within a molecule are separately computed. From these results, the interaction energies of the electron pairs taken one, two, three, and four at a time form the terms of a convergent

Theory of lone pairs. IV. Molecular ion
✍ C. Kozmutza; E. Kapuy; M. A. Robb; R. Daudel; I. G. Csizmadia πŸ“‚ Article πŸ“… 1982 πŸ› John Wiley and Sons 🌐 English βš– 504 KB

## Abstract Closed‐shell SCF calculations on the ground states and direct SCF calculations on the ionized doublet states were carried out for a series of ten‐electron hydrides. The correlation of ionization potentials with the degree of protonation and the nuclear charge has been studied for hole s