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Marius Wanko
Marius Wanko
Postdoc Juan de la Cierva Fellow, University of the Basque Country
Verified email at ehu.es
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Year
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
4262016
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
2902005
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
2372006
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
1882004
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
952017
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
752008
Computational photochemistry of retinal proteins
M Wanko, M Hoffmann, T Frauenheim, M Elstner
Journal of computer-aided molecular design 20, 511-518, 2006
662006
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
592010
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
592007
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
582009
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
572008
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
522016
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
462020
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
422009
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
382009
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
362012
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
262012
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
222013
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
222011
Double‐Bond versus Triple‐Bond Bridges: Does it Matter for the Charge‐Transfer Absorption by Donor–Acceptor Chromophores?
MBS Kirketerp, MÅ Petersen, M Wanko, H Zettergren, A Rubio, ...
ChemPhysChem 11 (12), 2495-2498, 2010
172010
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