Molecular orbital studies of methylation effects in aromatic hydrocarbons. 1. Ab initio calculations of the structure, electronic properties and energy of toluene, 1-methylnaphthalene, and 2-methylnaphthalene
- 1 October 1988
- journal article
- research article
- Published by American Chemical Society (ACS) in The Journal of Physical Chemistry
- Vol. 92 (20) , 5656-5666
- https://doi.org/10.1021/j100331a023
Abstract
No abstract availableKeywords
This publication has 4 references indexed in Scilit:
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- The bay-region geometry of some 5-methylchrysenes: steric effects in 5,6- and 5,12-dimethylchrysenesCarcinogenesis: Integrative Cancer Research, 1984
- Comparative molecular orbital study of the singlet state of o-benzyne and molecules with similar structural elementsThe Journal of Physical Chemistry, 1984
- The molecular structure of 11-methylbenz[a]anthracene: an almost planar substituted benz[a]anthraceneCarcinogenesis: Integrative Cancer Research, 1984