๐”– Bobbio Scriptorium
โœฆ   LIBER   โœฆ

The molecular and electronic structures of ions and radicals derived from alkylmercury(II) compounds: an SCF-MO study

โœ Scribed by Christopher Glidewell


Publisher
Elsevier Science
Year
1991
Tongue
English
Weight
411 KB
Volume
405
Category
Article
ISSN
0022-328X

No coin nor oath required. For personal study only.


๐Ÿ“œ SIMILAR VOLUMES


An ab-initio LCAO MO SCF study of the el
โœ Colin Thomson ๐Ÿ“‚ Article ๐Ÿ“… 1976 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 314 KB

Ab-initio calculations using three large gaussian basis sets arc reported for the unstable molecule SF2. The cffcct on tbc energy and computed geometry of polarhation functions and their expcrnents is examined, and a variety of one4cciron propertics computed.

A CAS SCF study of the iron-oxo-porphyri
โœ Shigeyoshi Yamamoto; Hiroshi Kashiwagi ๐Ÿ“‚ Article ๐Ÿ“… 1988 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 465 KB

CAS SCF (complete active space SCF) calculations have been carried out on the ion-oxo-porphine A radical cation, which is a model for peroxidase compound I and catalase compound II. It is found that the electronic structure of the Fe-0 bond is unchanged by removal of an electron from a porphine II: