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  Laterally Resolved Free Energy Profiles and Vibrational Spectra of Chemisorbed H Atoms on Pt(111)

Surendralal, S., Todorova, M., & Neugebauer, J. (2024). Laterally Resolved Free Energy Profiles and Vibrational Spectra of Chemisorbed H Atoms on Pt(111). Journal of Chemical Theory and Computation, 20(5), 2192-2201. doi:10.1021/acs.jctc.3c00997.

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Item Permalink: https://hdl.handle.net/21.11116/0000-000F-AA5A-D Version Permalink: https://hdl.handle.net/21.11116/0000-000F-AA64-1
Genre: Journal Article

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surendralal-et-al-2024-laterally-resolved-free-energy-profiles-and-vibrational-spectra-of-chemisorbed-h-atoms-on-pt(111).pdf (Publisher version), 8MB
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2024
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The Authors. Published by American Chemical Society.
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 Creators:
Surendralal, Sudarsan1, Author           
Todorova, Mira2, Author           
Neugebauer, Jörg1, Author           
Affiliations:
1Computational Materials Design, Max-Planck-Institut für Eisenforschung GmbH, Max Planck Society, ou_1863337              
2Electrochemistry and Corrosion, Computational Materials Design, Max-Planck-Institut für Eisenforschung GmbH, Max Planck Society, ou_2253635              

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Language(s): eng - English
 Dates: 2024-03
 Publication Status: Issued
 Pages: -
 Publishing info: -
 Table of Contents: -
 Rev. Type: Peer
 Identifiers: DOI: 10.1021/acs.jctc.3c00997
 Degree: -

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Project name : Support from the RESOLV program by the Deutsche Forschungsgemeinschaft (DFG) under Germany’s Excellence Strategy-EXC 2033-390677874-RESOLV & Funding through DFG project 405621160 and 409476157 (SFB1394)
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Title: Journal of Chemical Theory and Computation
  Other : JCTC
  Abbreviation : J. Chem. Theory Comput.
Source Genre: Journal
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Publ. Info: Washington, D.C. : American Chemical Society
Pages: 9 Volume / Issue: 20 (5) Sequence Number: - Start / End Page: 2192 - 2201 Identifier: ISSN: 1549-9618
CoNE: https://pure.mpg.de/cone/journals/resource/111088195283832