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Mario Wolter
Mario Wolter
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Charge transport in desolvated DNA
M Wolter, M Elstner, T Kubař
The Journal of chemical physics 139 (12), 2013
312013
Microsecond simulation of electron transfer in DNA: Bottom-up parametrization of an efficient electron transfer model based on atomistic details
M Wolter, M Elstner, U Kleinekathöfer, T Kubar
The journal of physical chemistry B 121 (3), 529-549, 2017
232017
Response of the electric conductivity of double-stranded DNA on moderate mechanical stretching stresses
M Wolter, PB Woiczikowski, M Elstner, T Kubař
Physical Review B 85 (7), 075101, 2012
222012
Position 123 of halohydrin dehalogenase HheG plays an important role in stability, activity, and enantioselectivity
J Solarczek, T Klünemann, F Brandt, P Schrepfer, M Wolter, CR Jacob, ...
Scientific reports 9 (1), 5106, 2019
192019
On the structure and stretching of microhydrated DNA
M Wolter, M Elstner, T Kubař
The Journal of Physical Chemistry A 115 (41), 11238-11247, 2011
142011
Better partitions of protein graphs for subsystem quantum chemistry
M von Looz, M Wolter, CR Jacob, H Meyerhenke
Experimental Algorithms: 15th International Symposium, SEA 2016, St …, 2016
82016
Accurate quantum-chemical fragmentation calculations for ion–water clusters with the density-based many-body expansion
S Schürmann, JR Vornweg, M Wolter, CR Jacob
Physical Chemistry Chemical Physics 25 (1), 736-748, 2023
52023
Systematic partitioning of proteins for quantum-chemical fragmentation methods using graph algorithms
M Wolter, M von Looz, H Meyerhenke, CR Jacob
Journal of Chemical Theory and Computation 17 (3), 1355-1367, 2021
52021
A new ultrafast energy funneling material harvests three times more diffusive solar energy for GaInP photovoltaics
MM Willich, L Wegener, J Vornweg, M Hohgardt, J Nowak, M Wolter, ...
Proceedings of the National Academy of Sciences 117 (52), 32929-32938, 2020
52020
Quantum-chemical calculation of two-dimensional infrared spectra using localized-mode VSCF/VCI
J Brüggemann, M Wolter, CR Jacob
The Journal of Chemical Physics 157 (24), 2022
32022
A simple and consistent quantum‐chemical fragmentation scheme for proteins that includes two‐body contributions
JR Vornweg, M Wolter, CR Jacob
Journal of Computational Chemistry 44 (18), 1634-1644, 2023
22023
SURESOFT: Towards Sustainable Research Software
C Blech, N Dreyer, M Friebel, C Jacob, MS Jassim, L Jehl, R Kapitza, ...
Technische Universität, 2022
22022
Charge Transport in DNA-Insights from Simulations
M Wolter
KIT Scientific Publishing, 2014
12014
Biocatalytic Ether Lipid Synthesis by an Archaeal Glycerolprenylase
F Kaspar, L Eilert, S Staar, SW Oung, M Wolter, CSG Ganskow, S Kemper, ...
2024
Interoperable Workflows by Exchanging Grid-Based Data between Quantum-Chemical Program Packages
K Focke, M De Santis, M Wolter, V Vallet, ASP Gomes, M Olejniczak, ...
arXiv preprint arXiv:2401.17925, 2024
2024
Structural Dependence of Extended Amide III Vibrations in Two-Dimensional Infrared Spectra
J Brüggemann, M Chekmeneva, M Wolter, CR Jacob
The Journal of Physical Chemistry Letters 14 (41), 9257-9264, 2023
2023
Forschen will gelernt sein
F Brandt, M Wolter, CR Jacob
Nachrichten aus der Chemie 68 (7-8), 24-26, 2020
2020
KIT-Abteilung für Theoretische Chemische BiologieVeröffentlichungen
M Wolter
Phys. Rev. Lett 109, 176802, 2012
2012
Electronic structure and strongly correlated systems-Response of the electric conductivity of double-stranded DNA on moderate mechanical stretching stresses (7 pages) 075101
M Wolter, P Benjamin Woiczikowski, M Elstner, T Kubar
Physical Review-Section B-Condensed Matter 85 (7), 2012
2012
KIT-Abteilung für Theoretische Chemische BiologieSeminars-Archiv
M Wolter
Mario Wolter (inaktiv), 2010
2010
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Artículos 1–20