| Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package E Epifanovsky, ATB Gilbert, X Feng, J Lee, Y Mao, N Mardirossian, ... The Journal of chemical physics 155 (8), 2021 | 637 | 2021 |
| Interactions between large molecules pose a puzzle for reference quantum mechanical methods YS Al-Hamdani, PR Nagy, A Zen, D Barton, M Kállay, JG Brandenburg, ... Nature Communications 12 (1), 3927, 2021 | 77 | 2021 |
| Serenity: A subsystem quantum chemistry program JP Unsleber, T Dresselhaus, K Klahr, D Schnieders, M Böckers, D Barton, ... Journal of Computational Chemistry 39 (13), 788-798, 2018 | 66 | 2018 |
| On‐surface domino reactions: glaser coupling and dehydrogenative coupling of a biscarboxylic acid to form polymeric bisacylperoxides PA Held, HY Gao, L Liu, C Mück‐Lichtenfeld, A Timmer, H Moenig, ... Angewandte Chemie International Edition 55 (33), 9777-9782, 2016 | 58* | 2016 |
| Formation of Organometallic Intermediate States in On‐Surface Ullmann Couplings D Barton, HY Gao, PA Held, A Studer, H Fuchs, NL Doltsinis, ... Chemistry–A European Journal 23 (25), 6190-6197, 2017 | 40 | 2017 |
| α-Diazo ketones in on-surface chemistry L Liu, H Klaasen, A Timmer, HY Gao, D Barton, H Mönig, J Neugebauer, ... Journal of the American Chemical Society 140 (18), 6000-6005, 2018 | 25 | 2018 |
| Reaction Selectivity in On‐Surface Chemistry by Surface Coverage Control—Alkyne Dimerization versus Alkyne Trimerization H Klaasen, L Liu, X Meng, PA Held, HY Gao, D Barton, ... Chemistry–A European Journal 24 (57), 15303-15308, 2018 | 11 | 2018 |
| Palladium-catalyzed carbonylative cross-coupling reaction between aryl (heteroaryl) iodides and tricyclopropylbismuth: expedient access to aryl cyclopropylketones E Benoit, J Dansereau, A Gagnon Synlett 28 (20), 2833-2838, 2017 | 11 | 2017 |
| Vibronic-structure tracking: a shortcut for vibrationally resolved UV/Vis-spectra calculations D Barton, C König, J Neugebauer The Journal of Chemical Physics 141 (16), 2014 | 11 | 2014 |
| Intermolecular coupling and intramolecular cyclization of aryl nitriles on Au (111) H Klaasen, L Liu, HY Gao, L Viergutz, PA Held, T Knecht, X Meng, ... Chemical communications 55 (77), 11611-11614, 2019 | 8 | 2019 |
| qcserenity/serenity: Release 1.4. 0 D Barton, M Bensberg, M Böckers, T Dresselhaus, P Eschenbach, ... Zenodo. https://doi. org/10.5281/ZENODO 5589628, 2021 | 7 | 2021 |
| Interactions between large molecules pose a puzzle for reference quantum mechanical methods PR Nagy, YS Al-Hamdani, A Zen, D Barton, M Kállay, JG Brandenburg, ... NATURE COMMUNICATIONS 12 (1), 2021 | | 2021 |
| Quantenchemische Untersuchungen von Oberflächenreaktionen und Grundlagen periodischer Dichteeinbettung D Barton Westfälische Wilhelms-Universität Münster, 2017 | | 2017 |
| Thermophysical properties of CF4/O2 and SF6/O2 gas mixtures M Damyanova, U Hohm, E Balabanova, D Barton Journal of Physics: Conference Series 700, 012011, 2016 | | 2016 |
Harald FuchsProf. of Physics, WWU Muenster, GermanyVerified email at uni-muenster.de
