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Ivan Kondov
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Quantum Dynamics of Photoinduced Electron-Transfer Reactions in Dye− Semiconductor Systems: First-Principles Description and Application to Coumarin 343− TiO2
I Kondov, M Čížek, C Benesch, H Wang, M Thoss
The Journal of Physical Chemistry C 111 (32), 11970-11981, 2007
1952007
Dynamical Simulation of Photoinduced Electron Transfer Reactions in Dye− Semiconductor Systems with Different Anchor Groups
J Li, M Nilsing, I Kondov, H Wang, P Persson, S Lunell, M Thoss
The Journal of Physical Chemistry C 112 (32), 12326-12333, 2008
1062008
Theoretical study of ultrafast heterogeneous electron transfer reactions at dye-semiconductor interfaces: Coumarin 343 at titanium oxide
I Kondov, M Thoss, H Wang
The Journal of Physical Chemistry A 110 (4), 1364-1374, 2006
982006
Theoretical study of ultrafast heterogeneous electron transfer reactions at dye–semiconductor interfaces
M Thoss, I Kondov, H Wang
Chemical physics 304 (1-2), 169-181, 2004
962004
Molecular origin of the charge carrier mobility in small molecule organic semiconductors
P Friederich, V Meded, A Poschlad, T Neumann, V Rodin, V Stehr, ...
Advanced Functional Materials 26 (31), 5757-5763, 2016
952016
Theoretical study of photoinduced electron-transfer processes in the dye− semiconductor system alizarin− TiO2
J Li, I Kondov, H Wang, M Thoss
The Journal of Physical Chemistry C 114 (43), 18481-18493, 2010
882010
Vibronic Effects in single molecule conductance: first-principles description and application to benzenealkanethiolates between gold Electrodes
C Benesch, M Cizek, J Klimeš, I Kondov, M Thoss, W Domcke
The Journal of Physical Chemistry C 112 (26), 9880-9890, 2008
742008
Efficiency of different numerical methods for solving Redfield equations
I Kondov, U Kleinekathöfer, M Schreiber
The Journal of Chemical Physics 114 (4), 1497-1504, 2001
522001
Computational study of titanium (IV) complexes with organic chromophores
I Kondov, H Wang, M Thoss
International journal of quantum chemistry 106 (6), 1291-1303, 2006
512006
Correlated electron-nuclear dynamics in ultrafast photoinduced electron-transfer reactions at dye-semiconductor interfaces
M Thoss, I Kondov, H Wang
Physical Review B 76 (15), 153313, 2007
502007
Perturbative treatment of intercenter coupling in the framework of Redfield theory
U Kleinekathöfer, I Kondov, M Schreiber
Chemical Physics 268 (1-3), 121-130, 2001
402001
SIMONA 1.0: An efficient and versatile framework for stochastic simulations of molecular and nanoscale systems
T Strunk, M Wolf, M Brieg, K Klenin, A Biewer, F Tristram, M Ernst, ...
Journal of computational chemistry 33 (32), 2602-2613, 2012
372012
Workflow Engineering in Materials Design within the BATTERY 2030+ Project
J Schaarschmidt, J Yuan, T Strunk, I Kondov, SP Huber, G Pizzi, L Kahle, ...
Advanced Energy Materials 12 (17), 2102638, 2022
352022
Preparing hpc applications for exascale: Challenges and recommendations
E Ábrahám, C Bekas, I Brandic, S Genaim, EB Johnsen, I Kondov, ...
Network-Based Information Systems (NBiS), 2015 18th International Conference …, 2015
352015
Stochastic unraveling of time-local quantum master equations beyond the Lindblad class
U Kleinekathöfer, I Kondov, M Schreiber
Physical Review E 66 (3), 037701, 2002
312002
Stochastic unraveling of Redfield master equations and its application to electron transfer problems
I Kondov, U Kleinekathöfer, M Schreiber
The Journal of chemical physics 119 (13), 6635-6646, 2003
302003
Oxygen-Evolution Reaction by a Palladium Foil in the Presence of Iron
N Akbari, I Kondov, M Vandichel, P Aleshkevych, MM Najafpour
Inorganic Chemistry 60 (8), 5682-5693, 2021
282021
Memory effects in the fluorescence depolarization dynamics studied within the B850 ring of purple bacteria
U Kleinekathöfer, I Barvík, P Heřman, I Kondov, M Schreiber
The Journal of Physical Chemistry B 107 (50), 14094-14102, 2003
242003
Surprisingly Low Reactivity of Layered Manganese Oxide toward Water Oxidation in Fe/Ni-Free Electrolyte under Alkaline Conditions
M Salmanion, I Kondov, M Vandichel, P Aleshkevych, MM Najafpour
Inorganic Chemistry 61 (4), 2292-2306, 2022
232022
Quantum dynamical simulation of photoinduced electron transfer processes in dye–semiconductor systems: theory and application to coumarin 343 at TiO2
J Li, I Kondov, H Wang, M Thoss
Journal of Physics: Condensed Matter 27 (13), 134202, 2015
222015
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