Theoretical conformational study of the TBBA molecule
- 1 January 1982
- journal article
- Published by EDP Sciences in Journal de Physique Lettres
- Vol. 43 (15) , 531-536
- https://doi.org/10.1051/jphyslet:019820043015053100
Abstract
A conformational analysis of the TBBA molecule has been performed using a quantic semi-empirical method : PCILO. The results allow us to define the low energy zones and to deduce the most stable conformations of the TBBA molecule. The respective contributions of aromatic core and terminal chains to the variations of the molecular area is discussedKeywords
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