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...
|Published in:||Theoretical Chemistry Accounts : Theory, Computation, and Modeling, Vol. 128, No. 4/6 (2011), p. 531-539|
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|Item Description:||Published as part of the special issue celebrating theoretical and computational chemistry in Spain.|
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Theoretical Chemistry Accounts : Theory, Computation, and Modeling, Vol. 128, No. 4/6 (2011), p. 531-539