𝔖 Bobbio Scriptorium
✦   LIBER   ✦

A theoretical study of the heats of formation of some small molecules using non-empirical wavefunctions

✍ Scribed by A. C. Hopkinson; K. Yates; I. G. Csizmadia

Book ID
104791230
Publisher
Springer
Year
1972
Tongue
English
Weight
402 KB
Volume
23
Category
Article
ISSN
1432-2234

No coin nor oath required. For personal study only.

πŸ“œ SIMILAR VOLUMES

Semi-empirical theoretical study of the
Semi-empirical theoretical study of the ground state spin of a series of non-alternant non-KekulΓ© molecules
✍ T.P. Radhakrishnan πŸ“‚ Article πŸ“… 1993 πŸ› Elsevier Science 🌐 English βš– 406 KB

The ground state spins of an interesting class of non-Kekuld molecules are predicted to be different from that obtained using simple Hilckel molecular orbital theory and Hund's rule. These predictions based on a general rule proposed recently are verified using semi-empirical AM 1 /CI calculations.