Making equation of state models predictive

Electronic structure calculations on workstation computers: The program system turbomole

Reinhart Ahlrichs, Michael Bär, Marco Häser et al. · Chemical Physics Letters · 1989 · 8.4K citations

Physical Design (Electronics), Program System Turbomole, Engineering +13

Conductor-like Screening Model for Real Solvents: A New Approach to the Quantitative Calculation of Solvation Phenomena

Andreas Klamt · The Journal of Physical Chemistry · 1995 · 4K citations

Chemical Kinetics, Engineering, Chemical Analysis +20

Perturbed-Chain SAFT:  An Equation of State Based on a Perturbation Theory for Chain Molecules

Gabriele Sadowski · Industrial & Engineering Chemistry Research · 2001 · 3.4K citations

Quantum Dynamic, Engineering, Saft Equation +27

Group‐contribution estimation of activity coefficients in nonideal liquid mixtures

Aage Fredenslund, Russell L. Jones, John M. Prausnitz · AIChE Journal · 1975 · 3.2K citations

Chemical Kinetics, Chemical Engineering, Engineering +14

PSRK: A Group Contribution Equation of State Based on UNIFAC

T. Holderbaum, Jürgen Gmehling · Fluid Phase Equilibria · 1991 · 672 citations

Group Contribution Equation, Group Representation, Finite-state System