| Confined linear carbon chains as a route to bulk carbyne L Shi, P Rohringer, K Suenaga, Y Niimi, J Kotakoski, JC Meyer, H Peterlik, ... Nature materials 15 (6), 634-639, 2016 | 467 | 2016 |
| Calculating absorption shifts for retinal proteins: computational challenges M Wanko, M Hoffmann, P Strodel, A Koslowski, W Thiel, F Neese, ... The Journal of Physical Chemistry B 109 (8), 3606-3615, 2005 | 291 | 2005 |
| Color tuning in rhodopsins: the mechanism for the spectral shift between bacteriorhodopsin and sensory rhodopsin II M Hoffmann, M Wanko, P Strodel, PH König, T Frauenheim, K Schulten, ... Journal of the American Chemical Society 128 (33), 10808-10818, 2006 | 240 | 2006 |
| A global investigation of excited state surfaces within time-dependent density-functional response theory M Wanko, M Garavelli, F Bernardi, TA Niehaus, T Frauenheim, M Elstner The Journal of chemical physics 120 (4), 1674-1692, 2004 | 187 | 2004 |
| Electronic band gaps of confined linear carbon chains ranging from polyyne to carbyne L Shi, P Rohringer, M Wanko, A Rubio, S Waßerroth, S Reich, S Cambré, ... Physical Review Materials 1 (7), 075601, 2017 | 109 | 2017 |
| Effect of polarization on the opsin shift in rhodopsins. 1. A combined QM/QM/MM model for bacteriorhodopsin and pharaonis sensory rhodopsin II M Wanko, M Hoffmann, T Frauenheim, M Elstner The Journal of Physical Chemistry B 112 (37), 11462-11467, 2008 | 74 | 2008 |
| Computational photochemistry of retinal proteins M Wanko, M Hoffmann, T Frauenheim, M Elstner Journal of computer-aided molecular design 20, 511-518, 2006 | 67 | 2006 |
| Analytical excited state forces for the time‐dependent density‐functional tight‐binding method D Heringer, TA Niehaus, M Wanko, T Frauenheim Journal of computational chemistry 28 (16), 2589-2601, 2007 | 64 | 2007 |
| The protonation state of Glu181 in rhodopsin revisited: interpretation of experimental data on the basis of QM/MM calculations JS Frähmcke, M Wanko, P Phatak, MA Mroginski, M Elstner The Journal of Physical Chemistry B 114 (34), 11338-11352, 2010 | 62 | 2010 |
| Polyyne electronic and vibrational properties under environmental interactions M Wanko, S Cahangirov, L Shi, P Rohringer, ZJ Lapin, L Novotny, P Ayala, ... Physical Review B 94 (19), 195422, 2016 | 60 | 2016 |
| Assessment of semiempirical methods for the photoisomerisation of a protonated Schiff base TW Keal, M Wanko, W Thiel Theoretical Chemistry Accounts 123, 145-156, 2009 | 60 | 2009 |
| Effect of polarization on the opsin shift in rhodopsins. 2. Empirical polarization models for proteins M Wanko, M Hoffmann, J Frähmcke, T Frauenheim, M Elstner The Journal of Physical Chemistry B 112 (37), 11468-11478, 2008 | 57 | 2008 |
| Benchmark and performance of long-range corrected time-dependent density functional tight binding (LC-TD-DFTB) on rhodopsins and light-harvesting complexes BM Bold, M Sokolov, S Maity, M Wanko, PM Dohmen, JJ Kranz, ... Physical Chemistry Chemical Physics 22 (19), 10500-10518, 2020 | 53 | 2020 |
| Absorption Spectra of 4‐Nitrophenolate Ions Measured in Vacuo and in Solution MB Suhr Kirketerp, M Åxman Petersen, M Wanko, ... ChemPhysChem 10 (8), 1207-1209, 2009 | 43 | 2009 |
| Long-distance proton transfer with a break in the bacteriorhodopsin active site P Phatak, JS Frähmcke, M Wanko, M Hoffmann, P Strodel, JC Smith, ... Journal of the American Chemical Society 131 (20), 7064-7078, 2009 | 38 | 2009 |
| Excited states of the green fluorescent protein chromophore: Performance of ab initio and semi‐empirical methods M Wanko, P García‐Risueño, A Rubio physica status solidi (b) 249 (2), 392-400, 2012 | 37 | 2012 |
| Substitution effects on the absorption spectra of nitrophenolate isomers M Wanko, J Houmøller, K Støchkel, MBS Kirketerp, MÅ Petersen, ... Physical Chemistry Chemical Physics 14 (37), 12905-12911, 2012 | 27 | 2012 |
| On the effect of a single solvent molecule on the charge-transfer band of a donor–acceptor anion J Houmøller, M Wanko, K Støchkel, A Rubio, S Brøndsted Nielsen Journal of the American Chemical Society 135 (18), 6818-6821, 2013 | 22 | 2013 |
| Spectroscopic Characterization of Solvent‐Mediated Folding in Dicarboxylate Dianions T Wende, M Wanko, L Jiang, G Meijer, KR Asmis, A Rubio Angewandte Chemie International Edition 50 (16), 3807-3810, 2011 | 20 | 2011 |
| Effect of a Single Water Molecule on the Electronic Absorption by o- and p-Nitrophenolate: A Shift to the Red or to the Blue? J Houmøller, M Wanko, A Rubio, SB Nielsen The Journal of Physical Chemistry A 119 (47), 11498-11503, 2015 | 18 | 2015 |
