Special issue: Ⅳ Congress of Theoretical and Computational Physical Chemistry.26-28 of November of 2012, Altos de Pipe, Caracas, Venezuela

摘要

This special issue of the Journal of Computational Methods in Science and Engineering (JCMSE) consists of a selection of papers about the presentations in the Ⅳ Congress of Theoretical Physical and Computational Chemistry (Ⅳ-CFQTC), held at Altos de Pipe, Caracas, in the Instituto Venezolano de Investigaciones Cientificas (IVIC), from 26 to 28 November 2012. The articles were written by the most important Venezuelan scientists in areas of molecular modeling, theoretical chemistry, computational catalysis, bioinformatic and medicinal chemistry, calculations of reaction mechanisms and kinetics, prediction of molecular electric and magnetic properties, and chemical process simulation in the industry.