𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Semiempirical molecular orbital calculations. V. Electronic structure of arenechromium tricarbonyls and chromium hexacarbonyl

✍ Scribed by Carroll, D. G.; McGlynn, S. P.


Book ID
126300857
Publisher
American Chemical Society
Year
1968
Tongue
English
Weight
740 KB
Volume
7
Category
Article
ISSN
0020-1669

No coin nor oath required. For personal study only.


πŸ“œ SIMILAR VOLUMES


Molecular structure and electronic spect
✍ Tsuguo Sato; Masahiro Kataoka πŸ“‚ Article πŸ“… 1997 πŸ› Journal of Heterocyclic Chemistry 🌐 English βš– 194 KB πŸ‘ 1 views

## Abstract The molecular structure of ellagic acid has been optimized by using PM3 semiempirical MO method. Ellagic acid has been calculated to be planar with the molecular symmetry of __C__~2h~. The lactone carbonyl groups are not tilted from the molecular plane. CNDO/S MO method has been used to

Molecular structure and electronic spect
✍ Tsuguo Sato; Masahiro Kataoka πŸ“‚ Article πŸ“… 1999 πŸ› Journal of Heterocyclic Chemistry 🌐 English βš– 194 KB πŸ‘ 1 views

## Abstract AM1 calculations show that taspine has the three energy‐minima along the rotation‐like nuclear displacement of the dimethylaminoethyl group. They correspond to two enantiomeric structures and a __Cs__ structure, which have nearly equal energies. The energy barrier between the enantiomer

ChemInform Abstract: Molecular Structure
✍ Tsuguo Sato; Masahiro Kataoka πŸ“‚ Article πŸ“… 2010 πŸ› John Wiley and Sons βš– 22 KB πŸ‘ 1 views

## Abstract ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 100 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select a β€œFull Text” option. The original article is trackable v

Molecular orbital calculations of the el
✍ 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