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Page 1
Vibrational spectroscopy of hydroxylated α-Al2O3(0001) surfaces with and without water: An ab initio molecular dynamics study.
J Chem Phys. 2018 Jul 7;149(1):014707. doi: 10.1063/1.5023347.
J Chem Phys. 2018.
PMID: 29981538
Characterization of water dissociation on α-Al2O3(11[combining macron]02): theory and experiment.
Wirth J, Kirsch H, Wlosczyk S, Tong Y, Saalfrank P, Campen RK.
Wirth J, et al.
Phys Chem Chem Phys. 2016 Jun 1;18(22):14822-32. doi: 10.1039/c6cp01397j.
Phys Chem Chem Phys. 2016.
PMID: 27109875
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Adsorption and photocatalytic splitting of water on graphitic carbon nitride: a combined first principles and semiempirical study.
Wirth J, Neumann R, Antonietti M, Saalfrank P.
Wirth J, et al.
Phys Chem Chem Phys. 2014 Aug 14;16(30):15917-26. doi: 10.1039/c4cp02021a.
Phys Chem Chem Phys. 2014.
PMID: 24963918
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Optically probing Al-O and O-H vibrations to characterize water adsorption and surface reconstruction on α-alumina: an experimental and theoretical study.
Tong Y, Wirth J, Kirsch H, Wolf M, Saalfrank P, Campen RK.
Tong Y, et al. Among authors: wirth j.
J Chem Phys. 2015 Feb 7;142(5):054704. doi: 10.1063/1.4906346.
J Chem Phys. 2015.
PMID: 25662657
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Quantum chemical investigation of thermal cis-to-trans isomerization of azobenzene derivatives: substituent effects, solvent effects, and comparison to experimental data.
Dokić J, Gothe M, Wirth J, Peters MV, Schwarz J, Hecht S, Saalfrank P.
Dokić J, et al. Among authors: wirth j.
J Phys Chem A. 2009 Jun 18;113(24):6763-73. doi: 10.1021/jp9021344.
J Phys Chem A. 2009.
PMID: 19453149
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