| Nitrogen fixation and reduction at boron MA Légaré, G Bélanger-Chabot, RD Dewhurst, E Welz, I Krummenacher, ... Science 359 (6378), 896-900, 2018 | 1045 | 2018 |
| Exciton trapping in π-conjugated materials: A quantum-chemistry-based protocol applied to perylene bisimide dye aggregates RF Fink, J Seibt, V Engel, M Renz, M Kaupp, S Lochbrunner, HM Zhao, ... Journal of the American Chemical Society 130 (39), 12858-12859, 2008 | 352 | 2008 |
| New algorithms for an individually selecting MR-CI program M Hanrath, B Engels Chemical physics 225 (1-3), 197-202, 1997 | 180 | 1997 |
| Ultrafast exciton self-trapping upon geometry deformation in perylene-based molecular aggregates A Schubert, V Settels, W Liu, F Würthner, C Meier, RF Fink, ... The journal of physical chemistry letters 4 (5), 792-796, 2013 | 162 | 2013 |
| Novel dengue virus NS2B/NS3 protease inhibitors H Wu, S Bock, M Snitko, T Berger, T Weidner, S Holloway, M Kanitz, ... Antimicrobial agents and chemotherapy 59 (2), 1100-1109, 2015 | 156 | 2015 |
| First-principles calculations of anisotropic charge-carrier mobilities in organic semiconductor crystals V Stehr, J Pfister, RF Fink, B Engels, C Deibel Physical Review B—Condensed Matter and Materials Physics 83 (15), 155208, 2011 | 154 | 2011 |
| Electron Delocalization in Reduced Forms of 2-(BMes2)pyrene and 2,7-Bis(BMes2)pyrene L Ji, RM Edkins, A Lorbach, I Krummenacher, C Brückner, A Eichhorn, ... Journal of the American Chemical Society 137 (21), 6750-6753, 2015 | 153 | 2015 |
| Si− E (E= N, O, F) bonding in a hexacoordinated silicon complex: new facts from experimental and theoretical charge density studies N Kocher, J Henn, B Gostevskii, D Kost, I Kalikhman, B Engels, D Stalke Journal of the American Chemical Society 126 (17), 5563-5568, 2004 | 148 | 2004 |
| SN versus S+N-: An Experimental and Theoretical Charge Density Study D Leußer, J Henn, N Kocher, B Engels, D Stalke Journal of the American Chemical Society 126 (6), 1781-1793, 2004 | 143 | 2004 |
| Temporary anions-calculation of energy and lifetime by absorbing potentials: The resonance T Sommerfeld, UV Riss, HD Meyer, LS Cederbaum, B Engels, HU Suter Journal of Physics B: Atomic, Molecular and Optical Physics 31 (18), 4107, 1998 | 139 | 1998 |
| Understanding ground-and excited-state properties of perylene tetracarboxylic acid bisimide crystals by means of quantum chemical computations HM Zhao, J Pfister, V Settels, M Renz, M Kaupp, VC Dehm, F Würthner, ... Journal of the American Chemical Society 131 (43), 15660-15668, 2009 | 127 | 2009 |
| A clear correlation between the diradical character of 1, 3-dipoles and their reactivity toward ethylene or acetylene B Braida, C Walter, B Engels, PC Hiberty Journal of the American Chemical Society 132 (22), 7631-7637, 2010 | 117 | 2010 |
| Structure–property relationships for 1, 7-diphenoxy-perylene bisimides in solution and in the solid state ÁJ Jiménez, MJ Lin, C Burschka, J Becker, V Settels, B Engels, ... Chemical Science 5 (2), 608-619, 2014 | 112 | 2014 |
| What Controls the Reactivity of 1, 3‐Dipolar Cycloadditions? B Engels, M Christl Angewandte Chemie International Edition 48 (43), 7968-7970, 2009 | 111 | 2009 |
| Contribution of surface resonances to scanning tunneling microscopy images:(110) surfaces of III-V semiconductors P Ebert, B Engels, P Richard, K Schroeder, S Blügel, C Domke, ... Physical review letters 77 (14), 2997, 1996 | 111 | 1996 |
| YANA–a software tool for analyzing flux modes, gene-expression and enzyme activities R Schwarz, P Musch, A von Kamp, B Engels, H Schirmer, S Schuster, ... BMC bioinformatics 6, 1-12, 2005 | 104 | 2005 |
| On the accuracy of theoretically and experimentally determined electron densities of polar bonds J Henn, D Ilge, D Leusser, D Stalke, B Engels The Journal of Physical Chemistry A 108 (43), 9442-9452, 2004 | 99 | 2004 |
| Comparison between ab initio theory and scanning tunneling microscopy for (110) surfaces of III-V semiconductors B Engels, P Richard, K Schroeder, S Blügel, P Ebert, K Urban Physical Review B 58 (12), 7799, 1998 | 98 | 1998 |
| The Pentaphenylborole–2, 6‐Lutidine Adduct: A System with Unusual Thermochromic and Photochromic Properties K Ansorg, H Braunschweig, CW Chiu, B Engels, D Gamon, M Hügel, ... Angewandte Chemie-International Edition 50 (12), 2833, 2011 | 95 | 2011 |
| Recent Developments in Configuration Interaction and Density Functional Theory Calculations of Radical Hyperfine Structure. B Engels, LA Eriksson, S Lunell Advances in quantum chemistry 27, 297-369, 1996 | 95 | 1996 |
Felipe FantuzziUniversity of KentVerified email at kent.ac.uk
