𝔖 Bobbio Scriptorium
✦   LIBER   ✦

MM3 calculations of aromatic heterocyclic compounds: sulfur-nitrogen containing molecules

✍ Scribed by Linrong Yang; Norman L. Allinger


Book ID
114142007
Publisher
Elsevier Science
Year
1996
Tongue
English
Weight
818 KB
Volume
370
Category
Article
ISSN
0166-1280

No coin nor oath required. For personal study only.


πŸ“œ SIMILAR VOLUMES


Ab initio and molecular mechanics (MM2 a
✍ Georgia B. McGaughey; Eugene L. Stewart; J. Phillip Bowen πŸ“‚ Article πŸ“… 1995 πŸ› John Wiley and Sons 🌐 English βš– 711 KB

## Abstract High‐level __ab initio__ calculations have been performed on __N__‐methyl‐__N__‐methyleneammonium and related compounds to obtain accurate rotational barriers, structures, and vibrational frequencies. The 6‐31G\*\* basis set has been utilized at the Hartree‐Fock level of theory for thes

Ab initio and molecular mechanics (MM2 a
✍ McGaughey, Georgia B.; Stewart, Eugene L.; Bowen, J. Phillip πŸ“‚ Article πŸ“… 1996 πŸ› John Wiley and Sons 🌐 English βš– 726 KB

Ab initio calculations have been carried out on s-trans-Nvinylmethyleneammonium, pyridinium, and related compounds to obtain rotational barriers, structures, and vibrational frequencies. The restricted Hartree-Fock (RHF) level of theory with 6-31G\*\* basis set was used for these calculations. In ad