%0 Journal Article
%T Study of Intermolecular Interactions in Liquid Crystals: Para-butyl-p¡¯-cyano-biphenyl
%A K. K. Dwivedi
%A M. K. Dwivedi
%A S. N. Tiwari
%J Journal of Crystallization Process and Technology
%P 31-38
%@ 2161-7686
%D 2014
%I Scientific Research Publishing
%R 10.4236/jcpt.2014.41005
%X <p class=\"MsoNormal\">
	<span lang=\"EN-GB\">Various characteristic</span><span lang=\"EN-GB\">s</span><span lang=\"EN-GB\"> of mesomorphism can be explained using
intermolecular interactions between a pair of liquid crystalline molecules. The
intermolecular interactions have been calculated considering multipole-multi</span><span lang=\"EN-GB\">centere expansion method and modified </span><span lang=\"EN-GB\">by </span><span lang=\"EN-GB\">second order perturbation treatments. For
calculation of multipole <i>i</i></span><span lang=\"EN-GB\">.</span><i><span lang=\"EN-GB\">e</span></i><span lang=\"EN-GB\">. charge, dipole, etc. at each atomic center of molecules,
para-butyl-p¡¯-cyano-biphenyl, GAMESS</span><span lang=\"EN-GB\">,</span><span lang=\"EN-GB\"> an <i>ab initio </i>program, with 6-31G<sup>*</sup> basis set has been used. The stacking, in-plane and terminal interaction
energies explain the liquid crystalline behaviour of the system.</span> 
</p>
%K Liquid Crystals
%K Phase Transition
%K Intermolecular Interactions
%K GAMESS
%K Multicentred-Multipole Expansion
%U http://www.scirp.org/journal/PaperInformation.aspx?PaperID=41894