Molecular mechanics (MM3) calculations on conjugated hydrocarbons
- 1 August 1990
- journal article
- research article
- Published by Wiley in Journal of Computational Chemistry
- Vol. 11 (7) , 868-895
- https://doi.org/10.1002/jcc.540110709
Abstract
No abstract availableKeywords
This publication has 67 references indexed in Scilit:
- Localization of aromaticity in fused-ring cycloarene systems. Prediction by an effective molecular mechanics modelThe Journal of Organic Chemistry, 1988
- Benzene, aromatic rings, van der Waals molecules, and crystals of aromatic molecules in molecular mechanics (MM3)Journal of Computational Chemistry, 1987
- Molecular geometry and conformational stability of 4,5-dimethyl- and 3,4,5,6-tetramethylphenanthrene: a look at the structural basis of the buttressing effectJournal of the American Chemical Society, 1987
- Comparison between the s-cis and gauche conformers of 1,3-butadieneJournal of the American Chemical Society, 1984
- Isotope effects in molecular mechanics (MM2). Calculations deuterium compoundsJournal of Computational Chemistry, 1983
- Molecular Force Fields of s-trans-1,3-Butadiene and the Second Stable ConformerBulletin of the Chemical Society of Japan, 1983
- Conformations of conjugated hydrocarbons. Part 1. A spectroscopic and thermodynamic study of buta-1,3-diene and 2-methylbuta-1,3-diene (isoprene)Journal of the Chemical Society, Perkin Transactions 2, 1976
- Nuclear magnetic resonance studies of conformation and ring inversion in the [3.3]paracyclophane systemJournal of the American Chemical Society, 1969
- Nuclear Magnetic Resonance Spectroscopy. Analysis and Temperature Dependence of the Spectra of Cycloheptatriene and 7,7-Bistrifluoromethylcycloheptatriene1Journal of the American Chemical Society, 1965
- The Molecular Structure of 1,3,5-Cycloheptatriene in the Vapor Phase as Determined by the Sector Electron Diffraction MethodJournal of the American Chemical Society, 1964