Study of the interaction between aniline and CH 3 | CN, CH 3 | Cl and CH 3 | F

A computational study of dimers formed by aniline and one or two CH3 X molecules, X being CN, Cl or F, was carried out to elucidate the main characteristics of the interacting systems. Two different structures were found for each of the dimers, depending on the relative location of the CH3 X molecul...

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Bibliographic Details
Published in:Theoretical Chemistry Accounts : Theory, Computation, and Modeling, Vol. 128, No. 4/6 (2011), p. 531-539
Main Author: Cabaleiro-Lago, M.
Other Involved Persons: Rodríguez-Otero, Jesús ; Peña-Gallego, Ángeles
Format: electronic Article
Language:English
ISSN:1432-2234
Item Description:Published as part of the special issue celebrating theoretical and computational chemistry in Spain.
Physical Description:Online-Ressource
DOI:10.1007/s00214-010-0789-4
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