UNIQUAC parameters determined by molecular mechanics

<scp>CHARMM</scp>: A program for macromolecular energy, minimization, and dynamics calculations

Bernard R. Brooks, Robert E. Bruccoleri, Barry D. Olafson et al. · Journal of Computational Chemistry · 1983 · 14.9K citations

Natural Sciences, Chemistry, Biomolecular Modeling +13

Statistical thermodynamics of liquid mixtures: A new expression for the excess Gibbs energy of partly or completely miscible systems

D. S. Abrams, John M. Prausnitz · AIChE Journal · 1975 · 4.6K citations

Natural Sciences, Chemical Engineering, Chemistry +17

Vapor-Liquid Equilibrium. XI. A New Expression for the Excess Free Energy of Mixing

Grant M. Wilson · Journal of the American Chemical Society · 1964 · 3.3K citations

Natural Sciences, Chemistry, Chemical Kinetics +11

On the derivation and extension of the uniquac equation

Gerd Maurer, John M. Prausnitz · Fluid Phase Equilibria · 1978 · 304 citations

Natural Sciences, Mathematics, Differential Equations +3

The Consistent Force Field. 2. An Optimized Set of Potential Energy Functions for the Alkanes.

Søren Balling Engelsen, Jesper Fabricius, Kjeld Rasmussen et al. · Acta chemica Scandinavica/Acta chemica Scandinavica. B, Organic chemistry and biochemistry/Acta chemica Scandinavica. A, Physical and inorganic chemistry/Acta chemica Scandinavica. Series B. Organic chemistry and biochemistry/Acta chemica Scandinavica. Series A, Physical and inorganic chemistry · 1994 · 19 citations · Full text

Natural Sciences, Chemistry, Physics +16