Article citationsMore>>

J. Caillet and P. Calverie, “Theoretical Evaluations of the Intermolecular Interaction Energy of a Crystal: Application to the Analysis of Crystal Geometry,” Acta Crystallographica, Vol. A31, 1975, pp. 448-461.

has been cited by the following article:

• TITLE: Study of Intermolecular Interactions in Liquid Crystals: Para-butyl-p’-cyano-biphenyl

  AUTHORS: K. K. Dwivedi, M. K. Dwivedi, S. N. Tiwari

  KEYWORDS: Liquid Crystals; Phase Transition; Intermolecular Interactions; GAMESS; Multicentred-Multipole Expansion

  JOURNAL NAME: Journal of Crystallization Process and Technology, Vol.4 No.1, January 13, 2014

  ABSTRACT: Various characteristics of mesomorphism can be explained using intermolecular interactions between a pair of liquid crystalline molecules. The intermolecular interactions have been calculated considering multipole-multicentere expansion method and modified by second order perturbation treatments. For calculation of multipole i.e. charge, dipole, etc. at each atomic center of molecules, para-butyl-p’-cyano-biphenyl, GAMESS, an ab initio program, with 6-31G* basis set has been used. The stacking, in-plane and terminal interaction energies explain the liquid crystalline behaviour of the system.