Molecular Dynamics and Experimental Study of Conformation Change of Poly(N-isopropylacrylamide)-hydrogels in Water. Fluid Phase Equilibria, 2010. [PUMA: visus:walterjn visus:vrabec visus:hassehs vis(us) from:mueller 2010 sfb716-a4] URL
Development of Models for Large Molecules and Electrolytes in Solution for Process Engineering. In W. E. Nagel, D. B. Kröner, and M. M. Resch (Eds.), High Performance Computing in Science and Engineering '09, Springer, 2010. [PUMA: visus:walterjn visus:vrabec visus:hassehs vis(us) from:mueller 2010 sfb716-a4]
A Systematic Approach to Combination Rules: Unlike Lennard-Jones Parameters for Vapor-Liquid Equilibria. 2008. [PUMA: 2008 visus:vrabec visus:hassehs vis(us) from:mueller sfb716-a4]
Industrial Fluid Property Challenge: Thermo-Physical Properties for Process Engineering Applications from Molecular Simulation. 2008. [PUMA: 2008 visus:vrabec visus:hassehs vis(us) from:mueller sfb716-a4]
Prädiktive Molekulare Simulation thermodynamischer Eigenschaften realer sicherheitsrelevanter Reinstoffe und Mischungen. 2008. [PUMA: 2008 visus:vrabec visus:hassehs vis(us) from:mueller sfb716-a4]
Transportkoeffizienten von Alkoholen und Wasser: Molekulare Simulation und Messungen mit der Taylor-Dispersions Methode. 2008. [PUMA: 2008 visus:vrabec visus:hassehs vis(us) from:mueller sfb716-a4]
Anwendung molekularer Methoden zur Vorhersage thermophysikalischer Stoffdaten am Beispiel Ethylenoxid. 2008. [PUMA: 2008 visus:vrabec visus:hassehs vis(us) from:mueller sfb716-a4]
Set of molecular models based on quantum mechanical ab initio calculations and thermodynamic data. Journal of Physical Chemistry B, (112)402008. [PUMA: 2008 visus:vrabec visus:hassehs vis(us) from:mueller sfb716-a4] URL
Prediction of Transport Properties by Molecular Simulation. Journal of Physical Chemistry B, (112)512008. [PUMA: 2008 visus:vrabec visus:hassehs vis(us) from:mueller sfb716-a4] URL
Molekulare Modelle H-Brücken bildender Fluide: Entwicklung und Validierung anhand thermodynamischer und NMR-Daten. 2007. [PUMA: 2007 visus:vrabec visus:hassehs vis(us) from:mueller sfb716-a4]
Molecular models of hydrogen bonding fluids: development and validation using thermodynamic and NMR-data. 2007. [PUMA: 2007 visus:vrabec visus:hassehs vis(us) from:mueller sfb716-a4]
Molekulare Modellierung und Simulation für das Prozessdesign. 2007. [PUMA: 2007 visus:vrabec visus:hassehs vis(us) from:mueller sfb716-a4]
Molekulare Modellierung und Simulation für das Prozessdesign. Chemie Ingenieur Technik, (80)12008. [PUMA: 2008 visus:vrabec visus:hassehs vis(us) from:mueller sfb716-a4] URL
Molecular Model for Formic Acid adjusted to Vapor-Liquid Equilibria. Chemical Physics Letters, (435)42007. [PUMA: 2007 visus:vrabec visus:hassehs vis(us) from:mueller sfb716-a4] URL
Hydrogen Bonding of Methanol in Supercritical CO2: Comparison between 1H-NMR Spectroscopic Data and Molecular Simulation Results. The Journal of Physical Chemistry B, (111)332007. [PUMA: 2007 visus:vrabec visus:hassehs vis(us) from:mueller sfb716-a4] URL
Molecular Simulation Study of Hydrogen Bonding Mixtures and New Molecular Models for Mono- and Dimethylamine. Fluid Phase Equilibria, (263)22008. [PUMA: 2008 visus:vrabec visus:hassehs vis(us) from:mueller sfb716-a4] URL
An optimized molecular model for ammonia. Molecular Physics, (106)82008. [PUMA: 2008 visus:vrabec visus:hassehs vis(us) from:mueller sfb716-a4] URL
On the Application of Force Fields for Predicting a Wide Variety of Properties: Ethylene Oxide as an Example. Fluid Phase Equilibria, (274)12008. [PUMA: 2008 visus:vrabec visus:hassehs vis(us) from:mueller sfb716-a4] URL
On the Application of Force Fields for Predicting a Wide Variety of Properties: Ethylene Oxide as an Example. Fluid Phase Equilibria, 2008. [PUMA: 2008 visus:vrabec visus:hassehs vis(us) from:mueller sfb716-a4]