Conformational analysis of the four 3-methyl-isopropylphenol isomers (thymols) by molecular orbital calculations and X-ray crystal structure determinations-Reference-Cited by-同舟云学术

Conformational analysis of the four 3-methyl-isopropylphenol isomers (thymols) by molecular orbital calculations and X-ray crystal structure determinations

Published:1981-05 Issue:3 Volume:76 Page:313-321
ISSN:0166-1280
Container-title:Journal of Molecular Structure: THEOCHEM
language:en
Short-container-title:Journal of Molecular Structure: THEOCHEM

Author:

Bertholon G.,Thozet A.,Perrin M.,Decoret C.

Publisher

Elsevier BV

Subject

Physical and Theoretical Chemistry,Condensed Matter Physics,Biochemistry

Reference25 articles.

1. Conformational analysis of o-, m- and p-cresol by molecular orbital calculations

2. Comparison of the intramolecular hydrogen bonds and of the internal barrier to rotation the hydroxyl and sulfhydryl groups in 2-methoxyphenol and 2-methoxythiophenol

3. A CNDO/2 study of the OH torsion in phenol and its hydrogen bonded complex with pyridine

4. Conformational analysis. LXXIV. Phenol and anisole derivatives

Cited by 4 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. Substituent effects on aromatic ring: Theoretical studies of molecular geometries of alkylphenols;Journal of Molecular Structure: THEOCHEM;1985-10

2. A DNMR study of isomeric phenols obtained by ring-opening, ring-closure of 3-isopropyl-2,4,6-trimethylpyrylium salts: an approach to the regioselectivity of the ring-closure;Tetrahedron Letters;1983-01

3. Gas, Organic Solid State Reactions and Their Applications;Quantum Theory of Chemical Reactions;1982

4. ChemInform Abstract: CONFORMATIONAL ANALYSIS OF THE FOUR 3-METHYL-ISOPROPYLPHENOL ISOMERS (THYMOLS) BY MOLECULAR ORBITAL CALCULATIONS AND X-RAY CRYSTAL STRUCTURE DETERMINATIONS;Chemischer Informationsdienst;1981-11-24