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Konstantinos Kotsis - Publications

Affiliations: 
School of Physics, University College Dublin 
Area:
Computational (Theory) Physics and Chemisty, Physical Chemistry, Materials Physics, Spectroscopy
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10 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2021 Rouse I, Power D, Brandt EG, Schneemilch M, Kotsis K, Quirke N, Lyubartsev AP, Lobaskin V. First principles characterisation of bio-nano interface. Physical Chemistry Chemical Physics : Pccp. 23: 13473-13482. PMID 34109956 DOI: 10.1039/d1cp01116b  0.298
2016 Li W, Kotsis K, Manzhos S. Comparative density functional theory and density functional tight binding study of arginine and arginine-rich cell penetrating peptide TAT adsorption on anatase TiO2. Physical Chemistry Chemical Physics : Pccp. PMID 27400036 DOI: 10.1039/C6Cp02671K  0.311
2014 Kumagai T, Hanke F, Gawinkowski S, Sharp J, Kotsis K, Waluk J, Persson M, Grill L. Controlling intramolecular hydrogen transfer in a porphycene molecule with single atoms or molecules located nearby Nature Chemistry. 6: 41-46. PMID 24345945 DOI: 10.1038/Nchem.1804  0.302
2013 Kumagai T, Hanke F, Gawinkowski S, Sharp J, Kotsis K, Waluk J, Persson M, Grill L. Thermally and vibrationally induced tautomerization of single porphycene molecules on a Cu(110) surface Physical Review Letters. 111. PMID 24483678 DOI: 10.1103/Physrevlett.111.246101  0.324
2011 Gao YK, Traeger F, Kotsis K, Staemmler V. A theoretical study of the XP and NEXAFS spectra of alanine: gas phase molecule, crystal, and adsorbate at the ZnO(101̄0) surface Physical Chemistry Chemical Physics. 13: 10709-10718. PMID 21544306 DOI: 10.1039/C0Cp02295K  0.387
2009 Gansäuer A, Fleckhaus A, Lafont MA, Okkel A, Kotsis K, Anoop A, Neese F. Catalysis via homolytic substitutions with C-O and Ti-O bonds: oxidative additions and reductive eliminations in single electron steps. Journal of the American Chemical Society. 131: 16989-99. PMID 19919150 DOI: 10.1021/Ja907817Y  0.272
2008 Merz K, Moreno M, Löffler E, Khodeir L, Rittermeier A, Fink K, Kotsis K, Muhler M, Driess M. Lithium-promoted hydrogenation of carbon dioxide to formates by heterobimetallic hydridozinc alkoxide clusters. Chemical Communications (Cambridge, England). 73-5. PMID 18401894 DOI: 10.1039/B714806B  0.367
2007 Wang Y, Kovácik R, Meyer B, Kotsis K, Stodt D, Staemmler V, Qiu H, Traeger F, Langenberg D, Muhler M, Wöll C. CO2 activation by ZnO through the formation of an unusual tridentate surface carbonate. Angewandte Chemie (International Ed. in English). 46: 5624-7. PMID 17579889 DOI: 10.1002/Anie.200700564  0.317
2006 Kotsis K, Staemmler V. Ab initio calculations of the O1s XPS spectra of ZnO and Zn oxo compounds Physical Chemistry Chemical Physics. 8: 1490-1498. PMID 16633632 DOI: 10.1039/B515699H  0.386
2006 Rössler N, Kotsis K, Staemmler V. Ab initio calculations for the Zn 2s and 2p core level binding energies in Zn oxo compounds and ZnO Physical Chemistry Chemical Physics. 8: 697-706. PMID 16482309 DOI: 10.1039/B512379H  0.322
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