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  Impact of Mn on the solution enthalpy of hydrogen in austenitic Fe–Mn alloys: A first-principles study

von Appen, J., Dronskowski, R., Chakrabarty, A., Hickel, T., Spatschek, R. P., & Neugebauer, J. (2014). Impact of Mn on the solution enthalpy of hydrogen in austenitic Fe–Mn alloys: A first-principles study. Journal of Computational Chemistry, 35(31), 2239-2244. doi:10.1002/jcc.23742.

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Item Permalink: http://hdl.handle.net/11858/00-001M-0000-0024-A65C-D Version Permalink: http://hdl.handle.net/11858/00-001M-0000-0024-A65D-B
Genre: Journal Article

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 Creators:
von Appen, Jörg1, Author              
Dronskowski, Richard1, Author              
Chakrabarty, Aurab2, Author              
Hickel, Tilmann2, Author              
Spatschek, Robert Philipp3, Author              
Neugebauer, Jörg4, Author              
Affiliations:
1Institute of Inorganic Chemistry, RWTH Aachen University, Aachen, Germany, ou_persistent22              
2Computational Phase Studies, Computational Materials Design, Max-Planck-Institut für Eisenforschung GmbH, Max Planck Society, ou_1863341              
3Mescoscale Simulations, Computational Materials Design, Max-Planck-Institut für Eisenforschung GmbH, Max Planck Society, ou_1863343              
4Computational Materials Design, Max-Planck-Institut für Eisenforschung GmbH, Max Planck Society, ou_1863337              

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Language(s): eng - English
 Dates: 2014-09-242014-12-05
 Publication Status: Published in print
 Pages: -
 Publishing info: -
 Table of Contents: -
 Rev. Method: -
 Identifiers: DOI: 10.1002/jcc.23742
 Degree: -

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Title: Journal of Computational Chemistry
  Abbreviation : J. Comput. Chem.
Source Genre: Journal
 Creator(s):
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Publ. Info: -
Pages: - Volume / Issue: 35 (31) Sequence Number: - Start / End Page: 2239 - 2244 Identifier: ISSN: 0192-8651
DOI: 10.1002/jcc.23742
CoNE: /journals/resource/954925489848