| Controlling intramolecular hydrogen transfer in a porphycene molecule with single atoms or molecules located nearby T Kumagai, F Hanke, S Gawinkowski, J Sharp, K Kotsis, J Waluk, ... Nature Chemistry 6 (1), 41-46, 2014 | 228 | 2014 |
| Ab initio calculations of the O1s XPS spectra of ZnO and Zn oxo compounds K Kotsis, V Staemmler Physical Chemistry Chemical Physics 8 (13), 1490-1498, 2006 | 205 | 2006 |
| CO2 activation by ZnO through the formation of an unusual tridentate surface carbonate Y Wang, R Kovacik, B Meyer, K Kotsis, D Stodt, V Staemmler, H Qiu, ... ANGEWANDTE CHEMIE-INTERNATIONAL EDITION IN ENGLISH- 46 (29), 5624, 2007 | 122 | 2007 |
| Catalysis via homolytic substitutions with C− O and Ti− O bonds: oxidative additions and reductive eliminations in single electron steps A Gansäuer, A Fleckhaus, MA Lafont, A Okkel, K Kotsis, A Anoop, ... Journal of the American Chemical Society 131 (46), 16989-16999, 2009 | 121 | 2009 |
| Thermally and vibrationally induced tautomerization of single porphycene molecules on a Cu (110) surface T Kumagai, F Hanke, S Gawinkowski, J Sharp, K Kotsis, J Waluk, ... Physical Review Letters 111 (24), 246101, 2013 | 120 | 2013 |
| Investigating atomic contrast in atomic force microscopy and Kelvin probe force microscopy on ionic systems using functionalized tips L Gross, B Schuler, F Mohn, N Moll, N Pavliček, W Steurer, I Scivetti, ... Physical Review B 90 (15), 155455, 2014 | 81 | 2014 |
| Amorphous (glassy) carbon, a promising material for sodium ion battery anodes: a combined first-principles and experimental study F Legrain, J Sottmann, K Kotsis, S Gorantla, S Sartori, S Manzhos The Journal of Physical Chemistry C 119 (24), 13496-13501, 2015 | 67 | 2015 |
| Ab initio calculations for the Zn 2s and 2p core level binding energies in Zn oxo compounds and ZnO N Rössler, K Kotsis, V Staemmler Physical Chemistry Chemical Physics 8 (6), 697-706, 2006 | 38 | 2006 |
| First principles characterisation of bio–nano interface I Rouse, D Power, EG Brandt, M Schneemilch, K Kotsis, N Quirke, ... Physical Chemistry Chemical Physics 23 (24), 13473-13482, 2021 | 33 | 2021 |
| Comparative density functional theory and density functional tight binding study of arginine and arginine-rich cell penetrating peptide TAT adsorption on anatase TiO 2 W Li, K Kotsis, S Manzhos Physical Chemistry Chemical Physics 18 (29), 19902-19917, 2016 | 26 | 2016 |
| Computational study of interfacial charge transfer complexes of 2-anthroic acid adsorbed on a titania nanocluster for direct injection solar cells S Manzhos, K Kotsis Chemical Physics Letters 660, 69-75, 2016 | 24 | 2016 |
| CO2 Adlayers on the Mixed Terminated ZnO(10-10) Surface Studied by He Atom Scattering, Photoelectron Spectroscopy and Ab Initio Electronic Structure … K Kotsis, D Stodt, V Staemmler, R Kovacik, B Meyer, F Traeger, ... Zeitschrift für Physikalische Chemie 222 (5-6), 891-915, 2008 | 18 | 2008 |
| Hydroquinoid Chromium Complexes Bearing an Acyclic Conjugated Bridge: Chromium-Templated Synthesis, Molecular Structure, and Haptotropic Metal Migration P Hegele, B Santhamma, G Schnakenburg, R Fröhlich, O Kataeva, ... Organometallics 29 (23), 6172-6185, 2010 | 14 | 2010 |
| CO2‐Aktivierung durch ZnO unter Bildung eines ungewöhnlichen dreizähnigen Oberflächencarbonats Y Wang, R Kováčik, B Meyer, K Kotsis, D Stodt, V Staemmler, H Qiu, ... Angewandte Chemie 119 (29), 5722-5725, 2007 | 13 | 2007 |
| An ancestral molecular response to nanomaterial particulates G Del Giudice, A Serra, LA Saarimäki, K Kotsis, I Rouse, SA Colibaba, ... Nature Nanotechnology 18 (8), 957-966, 2023 | 12 | 2023 |
| Lithium-promoted hydrogenation of carbon dioxide to formates by heterobimetallic hydridozinc alkoxide clusters K Merz, M Moreno, E Löffler, L Khodeir, A Rittermeier, K Fink, K Kotsis, ... Chemical communications, 73-75, 2008 | 12 | 2008 |
| A theoretical study of the XP and NEXAFS spectra of alanine: gas phase molecule, crystal, and adsorbate at the ZnO (101 [combining macron] 0) surface YK Gao, F Traeger, K Kotsis, V Staemmler Physical Chemistry Chemical Physics 13 (22), 10709-10718, 2011 | 10 | 2011 |
| Advanced in silico characterization of nanomaterials for nanoparticle toxicology I Rouse, D Power, EG Brandt, M Schneemilch, K Kotsis, N Quirke, ... arXiv preprint arXiv:2007.04017, 2020 | 4 | 2020 |
| Mg and K Insertion in Glassy Amorphous Carbon vs Graphite as Potential Anode Materials: an Ab Initio Study F Legrain, K Kotsis, S Manzhos MRS Advances 1 (45), 3069-3074, 2016 | 3 | 2016 |
| The effect of vibrational motion on the dynamics of shape resonant photoionization of BF3 leading to the state of RR Lucchese, R Montuoro, K Kotsis, M Tashiro, M Ehara, JD Bozek, ... Molecular Physics 108 (7-9), 1055-1067, 2010 | 3 | 2010 |
