𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Conformational analysis of saturated heterocycles ab initio studies of ethylene ozonides

✍ Scribed by Robert A. Rouse


Publisher
John Wiley and Sons
Year
2009
Tongue
English
Weight
250 KB
Volume
8
Category
Article
ISSN
0020-7608

No coin nor oath required. For personal study only.


πŸ“œ SIMILAR VOLUMES


Ab initio conformational analysis of cyc
✍ Rocha, Willian R.; Pliego, Josefredo R.; Resende, Stella M.; Dos Santos, HοΏ½lio F πŸ“‚ Article πŸ“… 1998 πŸ› John Wiley and Sons 🌐 English βš– 259 KB πŸ‘ 2 views

The potential energy surface PES for the cyclooctane molecule Ž . was comprehensively investigated at the Hartree᎐Fock HF level of theory employing the 3᎐21G, 6᎐31G, and 6᎐31G U basis sets. Six distinct true minimum Ž . energy structures named B, BB, BC, CROWN, TBC, and TCC , characterized 1 through

Conformational analysis of allylamine. A
✍ James Kao; Jeffrey I. Seeman πŸ“‚ Article πŸ“… 1984 πŸ› John Wiley and Sons 🌐 English βš– 575 KB

The conformational characteristics of allylamine were investigated by the ab initio STO-~G basis set. The results indicate that the molecule exists in a number of stable conformations through rotations about the CC-NH and CC-CN bonds. The TE ( &u~-CCNLP, LP representing lone-pair electrons, and ecli

Ab initio study of ascorbic acid conform
✍ Mohammad A. Al-Laham; G. A. Petersson; Paul Haake πŸ“‚ Article πŸ“… 1991 πŸ› John Wiley and Sons 🌐 English βš– 569 KB

The STOSG optimized structures of nine different staggered conformers of ascorbic acid are presented. The largest energy difference between the nine local minima is 5.1 kcal/mol. Comparison of the relative energies of the fully optimized structures of ascorbic acid conformers with those of nonoptimi