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Shakib, Farnaz A., Hanna, Gabriel (2016) New insights into the nonadiabatic state population dynamics of model proton-coupled electron transfer reactions from the mixed quantum-classical Liouville approach. The Journal of Chemical Physics, 144 (2). 24110pp. doi:10.1063/1.4939586

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Reference TypeJournal (article/letter/editorial)
TitleNew insights into the nonadiabatic state population dynamics of model proton-coupled electron transfer reactions from the mixed quantum-classical Liouville approach
JournalThe Journal of Chemical Physics
AuthorsShakib, Farnaz A.Author
Hanna, GabrielAuthor
Year2016 (January 14)Volume144
Issue2
PublisherAIP Publishing
DOIdoi:10.1063/1.4939586Search in ResearchGate
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Mindat Ref. ID2384603Long-form Identifiermindat:1:5:2384603:4
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Full ReferenceShakib, Farnaz A., Hanna, Gabriel (2016) New insights into the nonadiabatic state population dynamics of model proton-coupled electron transfer reactions from the mixed quantum-classical Liouville approach. The Journal of Chemical Physics, 144 (2). 24110pp. doi:10.1063/1.4939586
Plain TextShakib, Farnaz A., Hanna, Gabriel (2016) New insights into the nonadiabatic state population dynamics of model proton-coupled electron transfer reactions from the mixed quantum-classical Liouville approach. The Journal of Chemical Physics, 144 (2). 24110pp. doi:10.1063/1.4939586
In(2016, January) The Journal of Chemical Physics Vol. 144 (2) AIP Publishing

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Shakib, Farnaz A., Hanna, Gabriel (2014) An analysis of model proton-coupled electron transfer reactions via the mixed quantum-classical Liouville approach. The Journal of Chemical Physics, 141 (4). 44122pp. doi:10.1063/1.4890915
Hanna, Gabriel, Kapral, Raymond (2005) Quantum-classical Liouville dynamics of nonadiabatic proton transfer. The Journal of Chemical Physics, 122 (24). 244505pp. doi:10.1063/1.1940051
Rekik, Najeh, Hsieh, Chang-Yu, Freedman, Holly, Hanna, Gabriel (2013) A mixed quantum-classical Liouville study of the population dynamics in a model photo-induced condensed phase electron transfer reaction. The Journal of Chemical Physics, 138 (14). 144106pp. doi:10.1063/1.4799272
Hanna, Gabriel, Kapral, Raymond (2008) Quantum-classical Liouville dynamics of proton and deuteron transfer rates in a solvated hydrogen-bonded complex. The Journal of Chemical Physics, 128 (16). 164520pp. doi:10.1063/1.2907847
Brown, Sandra E., Shakib, Farnaz A. (2021) Recent progress in approximate quantum dynamics methods for the study of proton-coupled electron transfer reactions. Physical Chemistry Chemical Physics, 23 (4) 2535-2556 doi:10.1039/d0cp05166g
Mandal, Arkajit, Shakib, Farnaz A., Huo, Pengfei (2018) Investigating photoinduced proton coupled electron transfer reaction using quasi diabatic dynamics propagation. The Journal of Chemical Physics, 148 (24). 244102pp. doi:10.1063/1.5030634
Freedman, Holly, Hanna, Gabriel (2016) Mixed quantum–classical Liouville simulation of vibrational energy transfer in a model α-helix at 300 K. Chemical Physics, 477. 74-87 doi:10.1016/j.chemphys.2016.08.015
Fang, Jian-Yun, Hammes-Schiffer, Sharon (1997) Excited state dynamics with nonadiabatic transitions for model photoinduced proton-coupled electron transfer reactions. The Journal of Chemical Physics, 107 (15). 5727-5739 doi:10.1063/1.474333
Carpio-MartĂ­nez, Pablo, Hanna, Gabriel (2019) Nonequilibrium heat transport in a molecular junction: A mixed quantum-classical approach. The Journal of Chemical Physics, 151 (7). 74112pp. doi:10.1063/1.5113599
Fang, Jian-Yun, Hammes-Schiffer, Sharon (1997) Nonadiabatic dynamics for processes involving multiple avoided curve crossings: Double proton transfer and proton-coupled electron transfer reactions. The Journal of Chemical Physics, 107 (21). 8933-8939 doi:10.1063/1.475185
Liu, Junjie, Hanna, Gabriel (2018) Efficient and Deterministic Propagation of Mixed Quantum-Classical Liouville Dynamics. The Journal of Physical Chemistry Letters, 9 (14). 3928-3933 doi:10.1021/acs.jpclett.8b01619
 
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