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  First-Principles Study of the Structural, Electronic, Dynamic, and Mechanical Properties of HOPG and Diamond: Influence of Exchange-Correlation Functionals and Dispersion Interactions

Lechner, C., Pannier, B., Baranek, P., Forero-Martinez, N. C., & Vach, H. (2016). First-Principles Study of the Structural, Electronic, Dynamic, and Mechanical Properties of HOPG and Diamond: Influence of Exchange-Correlation Functionals and Dispersion Interactions. The Journal of Physical Chemistry C, 120(9), 5083-5100. doi:10.1021/acs.jpcc.5b10396.

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Item Permalink: https://hdl.handle.net/11858/00-001M-0000-002A-2991-B Version Permalink: https://hdl.handle.net/11858/00-001M-0000-002A-2992-9
Genre: Journal Article

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 Creators:
Lechner, C., Author
Pannier, B., Author
Baranek, P., Author
Forero-Martinez, Nancy C.1, Author           
Vach, H., Author
Affiliations:
1Dept. Kremer: Polymer Theory, MPI for Polymer Research, Max Planck Society, ou_1800287              

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Language(s): eng - English
 Dates: 2016
 Publication Status: Issued
 Pages: -
 Publishing info: -
 Table of Contents: -
 Rev. Type: -
 Identifiers: DOI: 10.1021/acs.jpcc.5b10396
 Degree: -

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Title: The Journal of Physical Chemistry C
  Abbreviation : J. Phys. Chem. C
Source Genre: Journal
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Publ. Info: Washington DC : American Chemical Society
Pages: - Volume / Issue: 120 (9) Sequence Number: - Start / End Page: 5083 - 5100 Identifier: ISSN: 1932-7447
CoNE: https://pure.mpg.de/cone/journals/resource/954926947766