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Journal of Computational Chemistry|July 21, 2026
How Structural Subtleties Modulate Excited-State Lifetimes in Cyclometalated Cobalt(III) Complexes: Nonadiabatic Molecular Dynamics StudyHamada Rezk, Oliver Kühn, Olga S BokarevaThe Journal of Chemical Physics|June 16, 2012
Electronic excitation spectrum of the photosensitizer [Ir(ppy)2(bpy)]+Sergey I Bokarev, Olga S Bokareva, Oliver KühnPhysical Chemistry Chemical Physics : PCCP|March 6, 2012
Electronic excitation spectra of the [Ir(ppy)2(bpy)]+ photosensitizer bound to small silver clusters Ag(n) (n = 1-6)Olga S Bokareva, Sergey I Bokarev, Oliver KühnJournal of Chemical Theory and Computation|November 18, 2015
Tuning Range-Separated Density Functional Theory for Photocatalytic Water Splitting SystemsOlga S Bokareva, Gilbert Grell, Sergey I Bokarev, et al.Chemistryopen|February 9, 2026
Determination and Validation of Standard Enthalpies of Formation and Sublimation of Potassium Salts Using Solution Calorimetry and Quantum-Chemical CalculationsZohreh Amanollahi, Dzmitry H Zaitsau, Karsten Müller, et al.Physical Chemistry Chemical Physics : PCCP|November 27, 2020
The effect of N-heterocyclic carbene units on the absorption spectra of Fe(II) complexes: a challenge for theoryOlga S Bokareva, Omar Baig, Mohammed J Al-Marri, et al.The Journal of Organic Chemistry|April 15, 2026
Driving Forces and Spin-Gated Reactivity of N5-Hydropyrimidopteridinetetraone Radicals in PhotocatalysisZohreh Amanollahi, Luisa Zach, Tobias Taeufer, et al.Inorganic Chemistry|September 2, 2020
Intersystem Crossing and Triplet Dynamics in an Iron(II) N-Heterocyclic Carbene PhotosensitizerJ Patrick Zobel, Olga S Bokareva, Peter Zimmer, et al.JACS Au|January 30, 2026
Cobalt-Catalyzed γ‑C-H Functionalization of Alcohols via Olefin-Tethered Radical RelayPhong Dam, Kosala N Amarasinghe, Chenyang Wang, et al.Langmuir : the ACS Journal of Surfaces and Colloids|May 11, 2017
Strong van der Waals Adhesion of a Polymer Film on Rough SubstratesJuliane Klatt, Pablo Barcellona, Robert Bennett, et al.Pageof 2