𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Molecular orbital calculation of structures and spin densities of AsCl3− and AsF3−

✍ Scribed by P.K. Mehrotra; J. Chandrasekhar; S. Subramanian; P.T. Manoharan

Publisher
Elsevier Science
Year
1974
Tongue
English
Weight
615 KB
Volume
28
Category
Article
ISSN
0009-2614

No coin nor oath required. For personal study only.

✦ Synopsis

Molecular orbital calcuJn~Jons were performed using the WA0 MO iterative extended Hiickel procedure on the 27 valence eIectron species AsFF and .4sCl~-. It was fobnd that thecx-y predicts the shape and unpaired spin-density distiibutian fiirly weIL The met!lod i; potentially useful especially since optimally psramctrised C'NDO and INDO techniques have not been developed to include the II1 or IV row elements of the periodic Table.

📜 SIMILAR VOLUMES

Molecular structure and electronic spect
Molecular structure and electronic spectrum of ellagic acid: Semiempirical molecular orbital calculations
✍ Tsuguo Sato; Masahiro Kataoka 📂 Article 📅 1997 🏛 Journal of Heterocyclic Chemistry 🌐 English ⚖ 194 KB 👁 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

Electronic and Molecular Structure of Si
Electronic and Molecular Structure of Simple 3,3′-Bicyclopropenyls. Photoelectron Spectroscopy and Model Calculations
✍ Jens Spanget-Larsen; Carla De Korswagen; Mirjana Eckeri-Maksie; Rolf Gleiter 📂 Article 📅 1982 🏛 John Wiley and Sons 🌐 German ⚖ 785 KB

## Abstract The electronic and molecular structure of 3,3′‐bicyclopropenyl (**1**) and its alkyl derivatives 3,3′‐dirnethyl‐3,3′‐bicyclopropenyl (**2**), dispiro [2.0.2.3]nona‐1,5‐diene (**3**), dispiro[2.0.2.4]deca‐1,5‐diene (**4**), dispiro [2.0.2.5]undeca‐1, 5‐diene (**5**), and dispiro [2.0.2.6