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Publications

  1. Walter, Jonathan ; Ermatchkov, Viktor ; Vrabec, Jadran ; Hasse, Hans: Molecular Dynamics and Experimental Study of Conformation Change of Poly(N-isopropylacrylamide)-hydrogels in Water. In: Fluid Phase Equilibria, Fluid Phase Equilibria. (2010b)
  2. Walter, Jonathan ; Deublein, Stephan ; Vrabec, Jadran ; Hasse, Hans: Development of Models for Large Molecules and Electrolytes in Solution for Process Engineering. In: Nagel, W. E. ; Kröner, D. B. ; Resch, M. M. (Hrsg.) ; Nagel, W. E. ; Kröner, D. B. ; Resch, M. M. (Hrsg.): High Performance Computing in Science and Engineering ’09, High Performance Computing in Science and Engineering ’09 : Springer, 2010a
  3. Eckl, Bernhard ; Vrabec, Jadran ; Hasse, Hans: Molekulare Modellierung und Simulation für das Prozessdesign. In: Chemie Ingenieur Technik, Chemie Ingenieur Technik. Bd. 80 (2008c), Nr. 1
  4. Eckl, Bernhard ; Vrabec, Jadran ; Hasse, Hans: An optimized molecular model for ammonia. In: Molecular Physics, Molecular Physics. Bd. 106 (2008b), Nr. 8
  5. Eckl, Bernhard ; Vrabec, Jadran ; Hasse, Hans: On the Application of Force Fields for Predicting a Wide Variety of Properties: Ethylene Oxide as an Example. In: Fluid Phase Equilibria, Fluid Phase Equilibria. Bd. 274 (2008d), Nr. 1
  6. Schnabel, Thorsten ; Vrabec, Jadran ; Hasse, Hans: Molecular Simulation Study of Hydrogen Bonding Mixtures and New Molecular Models for Mono- and Dimethylamine. In: Fluid Phase Equilibria, Fluid Phase Equilibria. Bd. 263 (2008), Nr. 2
  7. Guevara-Carrion, Gabriela ; Nieto-Draghi, Carlos ; Vrabec, Jadran ; Hasse, Hans: Prediction of Transport Properties by Molecular Simulation. In: Journal of Physical Chemistry B, Journal of Physical Chemistry B. Bd. 112 (2008b), Nr. 51
  8. Guevara-Carrion, Gabriela ; Hasse, Hans ; Nieto-Draghi, Carlos ; Vrabec, Jadran: Transportkoeffizienten von Alkoholen und Wasser: Molekulare Simulation und Messungen mit der Taylor-Dispersions Methode (2008a). — Vortrag
  9. Hasse, Hans ; Huang, Yow-Lin ; Vrabec, Jadran: Prädiktive Molekulare Simulation thermodynamischer Eigenschaften realer sicherheitsrelevanter Reinstoffe und Mischungen (2008b). — Vortrag
  10. Eckl, Bernhard ; Vrabec, Jadran ; Hasse, Hans: Set of molecular models based on quantum mechanical ab initio calculations and thermo­dynamic data. In: Journal of Physical Chemistry B, Journal of Physical Chemistry B. Bd. 112 (2008e), Nr. 40
  11. Eckl, Bernhard ; Hasse, Hans ; Vrabec, Jadran: Anwendung molekularer Methoden zur Vorhersage thermophysikalischer Stoffdaten am Beispiel Ethylenoxid (2008a). — Vortrag
  12. Hasse, Hans ; Huang, Yow-Lin ; Vrabec, Jadran: Industrial Fluid Property Challenge: Thermo-Physical Properties for Process Engineering Applications from Molecular Simulation (2008a). — Vortrag
  13. Hasse, Hans ; Merker, T. ; Schnabel, Thorsten ; Vrabec, Jadran: A Systematic Approach to Combination Rules: Unlike Lennard-Jones Parameters for Vapor-Liquid Equilibria (2008c). — Vortrag
  14. Schnabel, Thorsten ; Maiwald, Michael ; Vrabec, Jadran ; Hasse, Hans: Molecular models of hydrogen bonding fluids: development and validation using thermodynamic and NMR-data (2007b). — Vortrag
  15. Schnabel, Thorsten ; Srivastava, Anupam ; Vrabec, Jadran ; Hasse, Hans: Hydrogen Bonding of Methanol in Supercritical CO2: Comparison between 1H-NMR Spectroscopic Data and Molecular Simulation Results. In: The Journal of Physical Chemistry B, The Journal of Physical Chemistry B. Bd. 111 (2007c), Nr. 33
  16. Schnabel, Thorsten ; Vrabec, Jadran ; Hasse, Hans: Molekulare Modelle H-Brücken bildender Fluide: Entwicklung und Validierung anhand thermodynamischer und NMR-Daten (2007d). — Vortrag
  17. Schnabel, Thorsten ; Cortada, Maria ; Vrabec, Jadran ; Lago, S. ; Hasse, Hans: Molecular Model for Formic Acid adjusted to Vapor-Liquid Equilibria. In: Chemical Physics Letters, Chemical Physics Letters. Bd. 435 (2007a), Nr. 4
  18. Vrabec, Jadran ; Vorholz, Johannes ; Hasse, Hans: Molekulare Modellierung und Simulation für das Prozessdesign (2007). — Vortrag