Validation Par Spectroscopie Rmn1H Des Paramètres Geométriques Du Dimère Phénolique Obtenus Par Calculs Cndo/2
- 1 January 1988
- journal article
- research article
- Published by Wiley in Bulletin des Sociétés Chimiques Belges
- Vol. 97 (2) , 127-134
- https://doi.org/10.1002/bscb.19880970205
Abstract
No abstract availableKeywords
This publication has 13 references indexed in Scilit:
- Electron reorganization induced by intramolecular hydrogen bonding in phenol derivatives: relationship between proton chemical shifts and the hydroxylic electron populationsJournal of the Chemical Society, Perkin Transactions 2, 1986
- Substituent–substituent interactions in carbon-13 substituent chemical shifts of phenols and phenoxidesJournal of the Chemical Society, Perkin Transactions 2, 1984
- A quantum-chemical study of phenol self-association of open and cyclic dimers and trimersCollection of Czechoslovak Chemical Communications, 1984
- An STO-3G molecular orbital investigation of the molecular structure and internal rotation of phenol and catecholJournal of Molecular Structure, 1983
- High dilution measurement of the chemical shift of phenolic protons: Correlations with the electronic charge calculated by CNDO/2Spectrochimica Acta Part A: Molecular Spectroscopy, 1982
- Comparisons between crystallographic results and theoretical calculations on phenol moleculesJournal of Molecular Structure, 1981
- Conformational analysis of o-, m- and p-cresol by molecular orbital calculationsJournal of Molecular Structure, 1978
- Dipole moment, isomerization, and intramolecular hydrogen bond in some benzene derivatives (computations)Journal of Molecular Structure, 1977
- Über die substituentenabhängigkeit der Donatorund Akzeptoreigenschaften der Hydroxylgruppe in parasubstituierten Phenolen und Phenol—Anisol-KomplexenSpectrochimica Acta Part A: Molecular Spectroscopy, 1976
- Nonadditive carbon-13 substituent and solvent effects in substituted benzenesJournal of the American Chemical Society, 1976