𝔖 Bobbio Scriptorium
✦   LIBER   ✦

An ab initio conformational analysis of isobutylamine and diisopropylamine

✍ Scribed by Berta Fernández; Ricardo A. Mosquera; Miguel A. Rios

Book ID
113257292
Publisher
Elsevier Science
Year
1991
Tongue
English
Weight
392 KB
Volume
251
Category
Article
ISSN
0166-1280

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Ab initio conformational analysis of cyc
Ab initio conformational analysis of cyclooctane molecule
✍ Rocha, Willian R.; Pliego, Josefredo R.; Resende, Stella M.; Dos Santos, H�lio F 📂 Article 📅 1998 🏛 John Wiley and Sons 🌐 English ⚖ 259 KB 👁 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
Conformational analysis of allylamine. An ab initio molecular orbital study
✍ James Kao; Jeffrey I. Seeman 📂 Article 📅 1984 🏛 John Wiley and Sons 🌐 English ⚖ 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