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Development of Classical Molecule–Surface Interaction Potentials Based on Density Functional Theory Calculations: Investigation of Force Field Representability

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

Item Type: Article
Erschienen: 2012
Creators: Johnston, Karen and Herbers, Claudia R. and van der Vegt, Nico F. A.
Title: Development of Classical Molecule–Surface Interaction Potentials Based on Density Functional Theory Calculations: Investigation of Force Field Representability
Language: English
Journal or Publication Title: The Journal of Physical Chemistry C
Volume: 116
Number: 37
Divisions: Exzellenzinitiative
Exzellenzinitiative > Clusters of Excellence
07 Department of Chemistry
Zentrale Einrichtungen
Exzellenzinitiative > Clusters of Excellence > Center of Smart Interfaces (CSI)
07 Department of Chemistry > Computational Physical Chemistry
Date Deposited: 26 Sep 2012 14:08
Official URL: http://dx.doi.org/10.1021/jp3044187
Identification Number: doi:10.1021/jp3044187
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