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Anzahl der Einträge: 7.

Herbers, Claudia R. ; Li, Chunli ; van der Vegt, Nico F. A. :
Grand challenges in quantum-classical modeling of molecule-surface interactions.
[Online-Edition: http://dx.doi.org/10.1002/jcc.23247]
In: Journal of Computational Chemistry, 34 (14) S. 1177-1188. ISSN 01928651
[Artikel] , (2013)

Johnston, Karen ; Herbers, Claudia R. ; van der Vegt, Nico F. A. :
Development of Classical Molecule-Surface Interaction Potentials Based on Density Functional Theory Calculations: Investigation of Force Field Representability.
In: Journal of Physical Chemistry C, 116 S. 19781-19788.
[Artikel] , (2012)

Johnston, Karen ; Herbers, Claudia R. ; van der Vegt, Nico F. A. :
Development of Classical Molecule–Surface Interaction Potentials Based on Density Functional Theory Calculations: Investigation of Force Field Representability.
[Online-Edition: http://dx.doi.org/10.1021/jp3044187]
In: The Journal of Physical Chemistry C, 116 (37) S. 19781-19788. ISSN 1932-7447
[Artikel] , (2012)

Brini, Emiliano ; Herbers, Claudia R. ; Deichmann, Gregor ; van der Vegt, Nico F. A. :
Thermodynamic transferability of coarse-grained potentials for polymer-additive systems.
In: Physical Chemistry Chemical Physics, 14 S. 11896-11903.
[Artikel] , (2012)

Brini, Emiliano ; Herbers, Claudia R. ; Deichmann, Gregor ; van der Vegt, Nico F. A. :
Thermodynamic transferability of coarse-grained potentials for polymer–additive systems.
[Online-Edition: http://dx.doi.org/10.1039/c2cp40735c]
In: Physical Chemistry Chemical Physics, 14 (34) S. 11896. ISSN 1463-9076
[Artikel] , (2012)

Herbers, Claudia R. ; Johnston, Karen ; van der Vegt, Nico F. A. :
Modelling molecule–surface interactions—an automated quantum-classical approach using a genetic algorithm.
In: Phys. Chem. Chem. Phys., 13 10577–10583.
[Artikel] , (2011)

Lusceac, Sorin A. ; Vogel, Michael ; Herbers, Claudia R. :
2H and 13C NMR studies on the temperature-dependent water and protein dynamics in hydrated elastin, myoglobin and collagen.
[Online-Edition: http://dx.doi.org/10.1016/j.bbapap.2009.06.009]
In: Biochimica et Biophysica Acta (BBA) - Proteins & Proteomics, 1804 (1) S. 41. ISSN 15709639
[Artikel] , (2010)

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