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Theoretical approach of the conformations of benzylidene aniline using the PCILO method

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Abstract

The conformational properties of benzylidene aniline (BA) were investigated using the PCILO method. Evidence has been provided that the optimization of geometry plays a prominent part, in agreement with recent experimental work on photoelectron spectroscopy by Haselbach.

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Authors and Affiliations

  1. Laboratoire de Photochimie Générale, Equipe de Recherche Associée au CNRS n° 386, Ecole Supérieure de Chimie, F-68093, Mulhouse cédex, France

    Patrice Jacques & Jean Faure

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  1. Patrice Jacques
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  2. Jean Faure
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Jacques, P., Faure, J. Theoretical approach of the conformations of benzylidene aniline using the PCILO method. Theoret. Chim. Acta 46, 307–311 (1977). https://doi.org/10.1007/BF00554515

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  • DOI: https://doi.org/10.1007/BF00554515

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