Lattice dynamics of tetracyanoethylene |
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| Authors: | T. Luty A. van der Avoird A. Mierzejewski |
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| Affiliation: | Institute of Theoretical Chemistry, University of Nijmegen, Nijmegen, The Netherlands;Institute of Organic and Physical Chemistry, Technical University, 50-370 Wroc ?a aw, Poland |
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| Abstract: | ![]()
Lattice dynamics calculations for both crystalline forms of tetracyanoethylene are presented. The comparison of the calculated static and dynamical properties with the experimental data, leads us to suggest an improved parameter set for the “6-exp” potential function for crystals with cyano groups. |
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