Title :
Evaluation of UNIFAC group interaction parameters usijng properties based on quantum mechanical calculations
Author :
Knox Dana E. استاد راهنما , Huang Michael Chien-Yueh استاد مشاور
University :
Van Houten Library )new Jersey Institute Of Technology(
Major :
Master of Science )Otto H. York Department of Chemical Engineering(
Keyword :
Atoms in molecules theory , Quantum mechanics , molecular properties , intermolecular interactions , Computational chemistry
