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Journal of Chemical Theory and Computation|February 25, 2026
Unraveling Charge and Energy Transfer in a Singlet Fission Donor-Acceptor Complex: An <i>Ab Initio</i> Quantum Dynamical StudyKarin S Thalmann, Pedro B Coto, Michael ThossThe Journal of Physical Chemistry. A|May 22, 2008
Ground- and excited-state properties of the mixed-valence complex [(NH3)5Ru(III)NCRu(II)(CN)5]-Ivan Kondov, Valérie Vallet, Haobin Wang, et al.The Journal of Physical Chemistry Letters|November 11, 2024
Spin Mixing in Intramolecular Singlet Fission: A First-Principles-Based Quantum Dynamical StudyR K Kathir, Pedro B Coto, Michael ThossThe Journal of Physical Chemistry Letters|September 28, 2018
Intramolecular Singlet Fission: Insights from Quantum Dynamical SimulationsS Rajagopala Reddy, Pedro B Coto, Michael ThossThe Journal of Chemical Physics|December 20, 2012
Photoinduced electron transfer processes in dye-semiconductor systems with different spacer groupsJingrui Li, Haobin Wang, Petter Persson, et al.The Journal of Chemical Physics|January 10, 2012
Numerically exact, time-dependent treatment of vibrationally coupled electron transport in single-molecule junctionsHaobin Wang, Ivan Pshenichnyuk, Rainer Härtle, et al.Physical Chemistry Chemical Physics : PCCP|July 22, 2011
Bias-controlled selective excitation of vibrational modes in molecular junctions: a route towards mode-selective chemistryRoie Volkovich, Rainer Härtle, Michael Thoss, et al.The Journal of Chemical Physics|July 9, 2021
Unraveling current-induced dissociation mechanisms in single-molecule junctionsYaling Ke, André Erpenbeck, Uri Peskin, et al.Journal of Physics. Condensed Matter : an Institute of Physics Journal|March 14, 2015
Quantum dynamical simulation of photoinduced electron transfer processes in dye-semiconductor systems: theory and application to coumarin 343 at TiO₂Jingrui Li, Ivan Kondov, Haobin Wang, et al.The Journal of Chemical Physics|May 20, 2024
Intramolecular singlet fission: Quantum dynamical simulations including the effect of the laser fieldS Rajagopala Reddy, Pedro B Coto, Michael ThossPageof 15