𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Effective atomic charges and charge transfer after photoionization in sulfur compounds and phosphorus compounds

✍ Scribed by V.I. Nefedov; V.G. Yarzhemsky

Publisher
Elsevier Science
Year
1994
Tongue
English
Weight
589 KB
Volume
69
Category
Article
ISSN
0368-2048

No coin nor oath required. For personal study only.

πŸ“œ SIMILAR VOLUMES

X-Ray determination of the effective cha
X-Ray determination of the effective charges on sulfur and phosphorus atoms in chemical compounds
✍ G. N. Dolenko; A. L. Litvin; V. P. Elin πŸ“‚ Article πŸ“… 1992 πŸ› John Wiley and Sons 🌐 English βš– 681 KB

The dependencies of Ka line shifts of the P and S atoms on effective charges of the atoms, calculated by CNDO/S, CNDOIZ, INDO, and MNDO methods in the minimal and extended basis sets, have been investigated for model compounds. Good linear relationships between Ka shifts and atomic charges have been

X-Ray spectral determination of the effe
X-Ray spectral determination of the effective charges on phosphorus, sulfur, and chlorine atoms in chemical compounds with a nonempirical charge scale
✍ G. N. Dolenko; Z. Latajka; H. Ratajczak πŸ“‚ Article πŸ“… 1995 πŸ› John Wiley and Sons 🌐 English βš– 334 KB

Linear dependence between the experimental K, line shifts and Mulliken atomic charges obtained by SCF ab initio calculations with 4-31G, 4-31G, and 4-31G" basis sets for the E S, and Cl atoms have been found. The electron density redistribution of PCl, and SPCZ, free ligands o n their complexation