𝔖 Bobbio Scriptorium
✦   LIBER   ✦

A new type of semi-empirical molecular orbital method for large molecules

✍ Scribed by O. Kikuchi; A.J. Hopfinger; G. Klopman

Book ID
107823365
Publisher
Elsevier Science
Year
1979
Tongue
English
Weight
514 KB
Volume
77
Category
Article
ISSN
0022-5193

No coin nor oath required. For personal study only.

πŸ“œ SIMILAR VOLUMES

An analysis of predictions by the semi-e
An analysis of predictions by the semi-empirical MNDO molecular orbital method for some aspects of molecular energetics
✍ N.Colin Baird; Graham C. Hadley πŸ“‚ Article πŸ“… 1986 πŸ› Elsevier Science 🌐 English βš– 688 KB

Calculations using the MNDO HE molecular\*rbital method predict that NHd, PH4 and H$3 are stable free radicals, and that local minima exist for H30 and H2Cl. The tendency of MNDO to overestimate the stability of such systems is traced to its neglect of overlap integrals. Results for Hz (both ground