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Hall, Samuel J., Klein, Benedikt P., Maurer, Reinhard J. (2023) Characterizing Molecule–Metal Surface Chemistry with Ab Initio Simulation of X-ray Absorption and Photoemission Spectra. The Journal of Physical Chemistry C, 127 (4) 1870-1880 doi:10.1021/acs.jpcc.2c06996

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Reference TypeJournal (article/letter/editorial)
TitleCharacterizing Molecule–Metal Surface Chemistry with Ab Initio Simulation of X-ray Absorption and Photoemission Spectra
JournalThe Journal of Physical Chemistry C
AuthorsHall, Samuel J.Author
Klein, Benedikt P.Author
Maurer, Reinhard J.Author
Year2023 (February 2)Volume127
Issue4
PublisherAmerican Chemical Society (ACS)
DOIdoi:10.1021/acs.jpcc.2c06996Search in ResearchGate
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Mindat Ref. ID15691520Long-form Identifiermindat:1:5:15691520:7
GUID0
Full ReferenceHall, Samuel J., Klein, Benedikt P., Maurer, Reinhard J. (2023) Characterizing Molecule–Metal Surface Chemistry with Ab Initio Simulation of X-ray Absorption and Photoemission Spectra. The Journal of Physical Chemistry C, 127 (4) 1870-1880 doi:10.1021/acs.jpcc.2c06996
Plain TextHall, Samuel J., Klein, Benedikt P., Maurer, Reinhard J. (2023) Characterizing Molecule–Metal Surface Chemistry with Ab Initio Simulation of X-ray Absorption and Photoemission Spectra. The Journal of Physical Chemistry C, 127 (4) 1870-1880 doi:10.1021/acs.jpcc.2c06996
In(2023, February) The Journal of Physical Chemistry C Vol. 127 (4) American Chemical Society (ACS)

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Klein, Benedikt P, Hall, Samuel J, Maurer, Reinhard J (2021) The nuts and bolts of core-hole constrained ab initio simulation for K-shell x-ray photoemission and absorption spectra. Journal of Physics: Condensed Matter, 33 (15) 154005pp. doi:10.1088/1361-648x/abdf00
Klein, Benedikt P., Morbec, Juliana M., Franke, Markus, Greulich, Katharina K., Sachs, Malte, Parhizkar, Shayan, Bocquet, François C., Schmid, Martin, Hall, Samuel J., Maurer, Reinhard J., Meyer, Bernd, Tonner, Ralf, Kumpf, Christian, Kratzer, Peter, Gottfried, J. Michael (2019) Molecule–Metal Bond of Alternant versus Nonalternant Aromatic Systems on Coinage Metal Surfaces: Naphthalene versus Azulene on Ag(111) and Cu(111). The Journal of Physical Chemistry C, 123 (48). 29219-29230 doi:10.1021/acs.jpcc.9b08824
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Gardner, James, Habershon, Scott, Maurer, Reinhard J. (2023) Assessing Mixed Quantum-Classical Molecular Dynamics Methods for Nonadiabatic Dynamics of Molecules on Metal Surfaces. The Journal of Physical Chemistry C, 127 (31) American Chemical Society (ACS) 15257-15270 doi:10.1021/acs.jpcc.3c03591
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