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Olga S. Bokareva
Olga S. Bokareva
Institute of Physics, University of Rostock
Verified email at uni-rostock.de
Title
Cited by
Cited by
Year
Tuning range-separated density functional theory for photocatalytic water splitting systems
OS Bokareva, G Grell, SI Bokarev, O Kühn
Journal of Chemical Theory and Computation 11 (4), 1700-1709, 2015
732015
A theoretical perspective on charge transfer in photocatalysis. The example of Ir-based systems
SI Bokarev, OS Bokareva, O Kuehn
Coordination Chemistry Reviews 304, 133-145, 2015
422015
Electronic excitation spectrum of the photosensitizer [Ir (ppy) 2 (bpy)]+
SI Bokarev, OS Bokareva, O Kühn
The Journal of chemical physics 136 (21), 2012
422012
Structure and dynamics of acrolein in lowest excited 1,3(n,π*) electronic states: The quantum‐chemical study
OS Bokareva, VA Bataev, VI Pupyshev, IA Godunov
International Journal of Quantum Chemistry 108 (14), 2719-2731, 2008
332008
Ground-and excited-state properties of iron (II) complexes linked to organic chromophores
P Dierks, A Päpcke, OS Bokareva, B Altenburger, T Reuter, K Heinze, ...
Inorganic chemistry 59 (20), 14746-14761, 2020
302020
Intersystem crossing and triplet dynamics in an iron (II) N-heterocyclic carbene photosensitizer
JP Zobel, OS Bokareva, P Zimmer, C Wölper, M Bauer, L González
Inorganic chemistry 59 (20), 14666-14678, 2020
252020
Mechanistic study of photocatalytic hydrogen generation with simple iron carbonyls as water reduction catalysts
S Fischer, OS Bokareva, E Barsch, SI Bokarev, O Kühn, R Ludwig
ChemCatChem 8 (2), 404-411, 2016
252016
Distinct photodynamics of κ-N and κ-C pseudoisomeric iron (II) complexes
P Dierks, A Kruse, OS Bokareva, MJ Al-Marri, J Kalmbach, M Baltrun, ...
Chemical Communications 57 (54), 6640-6643, 2021
242021
Janus-type emission from a cyclometalated iron(iii) complex
J Steube, A Kruse, OS Bokareva, T Reuter, S Demeshko, R Schoch, ...
Nature Chemistry 15 (4), 468-474, 2023
222023
Tuned range-separated density functional theory and Dyson orbital formalism for photoelectron spectra
T Möhle, OS Bokareva, G Grell, O Kühn, SI Bokarev
Journal of chemical theory and computation 14 (11), 5870-5880, 2018
162018
Structures and conformational dynamics of monomethylated derivatives of acrolein: a quantum-chemical study
OS Bokareva, VA Bataev, IA Godunov
Journal of Molecular Structure: THEOCHEM 913 (1-3), 254-264, 2009
152009
Chemical tuning and absorption properties of iridium photosensitizers for photocatalytic applications
OS Bokareva, T Möhle, A Neubauer, SI Bokarev, S Lochbrunner, O Kühn
Inorganics 5 (2), 23, 2017
142017
Janus-type dual emission of a Cyclometalated Iron (III) complex
M Bauer, J Steube, A Päpcke, O Bokareva, T Reuter, S Demeshko, ...
122020
Effective quenching and excited-state relaxation of a Cu (I) photosensitizer addressed by time-resolved spectroscopy and TDDFT calculations
A Friedrich, OS Bokareva, SP Luo, H Junge, M Beller, O Kühn, ...
Chemical Physics 515, 557-563, 2018
122018
A quantum-chemical study of the structure and conformational dynamics of the acrolein molecule in the ground electronic state
OS Bokareva, VA Bataev, IA Godunov
Russian Journal of Physical Chemistry A 83, 81-90, 2009
112009
The effect of N-heterocyclic carbene units on the absorption spectra of Fe (II) complexes: a challenge for theory
OS Bokareva, O Baig, MJ Al-Marri, O Kühn, L González
Physical Chemistry Chemical Physics 22 (47), 27605-27616, 2020
102020
DFT-D investigation of the interaction between Ir (III) based photosensitizers and small silver clusters Agn (n= 2–20, 92)
OS Bokareva, O Kuehn
Chemical Physics 435, 40-48, 2014
102014
Can range-separated functionals be optimally tuned to predict spectra and excited state dynamics in photoactive iron complexes?
JP Zobel, A Kruse, O Baig, S Lochbrunner, SI Bokarev, O Kühn, ...
Chemical Science 14 (6), 1491-1502, 2023
92023
Optimized long-range corrected density functionals for electronic and optical properties of bare and ligated CdSe quantum dots
OS Bokareva, MF Shibl, MJ Al-Marri, T Pullerits, O Kühn
Journal of Chemical Theory and Computation 13 (1), 110-116, 2017
92017
Structure and dynamics of acrolein in 1, 3 (π, π*) excited electronic states: A quantum-chemical study
OS Bokareva, VA Bataev, VI Pupyshev, IA Godunov
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 73 (4 …, 2009
92009
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