𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Conformational Effect on CNDO Force Field of Furan-2-Aldehyde

✍ Scribed by L. Banki; F. Billes; M. Ga'l; A. Grofcsik; G. Jalsovszky; L. Sztraka


Publisher
Elsevier Science
Year
1986
Tongue
English
Weight
195 KB
Volume
142
Category
Article
ISSN
0022-2860

No coin nor oath required. For personal study only.


πŸ“œ SIMILAR VOLUMES


Molecular mechanics (MM2) and conformati
✍ Berta FernΓ‘ndez; Miguel A. RΓ­os; LuΓ­s Carballeira πŸ“‚ Article πŸ“… 1991 πŸ› John Wiley and Sons 🌐 English βš– 824 KB

A molecular mechanics force field was developed for systems bearing the N -C -0 unit on the basis of 6-31G\* and 4-21G %b initio" calculations with full optimization of the geometry and experimental heats of formation. The parameters used, which implicitly included the anomeric effect, provided good