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Tao, Guohua (2013) Electronically Nonadiabatic Dynamics in Complex Molecular Systems: An Efficient and Accurate Semiclassical Solution. The Journal of Physical Chemistry A, 117 (28). 5821-5825 doi:10.1021/jp404856p

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Reference TypeJournal (article/letter/editorial)
TitleElectronically Nonadiabatic Dynamics in Complex Molecular Systems: An Efficient and Accurate Semiclassical Solution
JournalThe Journal of Physical Chemistry A
AuthorsTao, GuohuaAuthor
Year2013 (July 18)Volume117
Issue28
PublisherAmerican Chemical Society (ACS)
DOIdoi:10.1021/jp404856pSearch in ResearchGate
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Mindat Ref. ID3962016Long-form Identifiermindat:1:5:3962016:3
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Full ReferenceTao, Guohua (2013) Electronically Nonadiabatic Dynamics in Complex Molecular Systems: An Efficient and Accurate Semiclassical Solution. The Journal of Physical Chemistry A, 117 (28). 5821-5825 doi:10.1021/jp404856p
Plain TextTao, Guohua (2013) Electronically Nonadiabatic Dynamics in Complex Molecular Systems: An Efficient and Accurate Semiclassical Solution. The Journal of Physical Chemistry A, 117 (28). 5821-5825 doi:10.1021/jp404856p
In(2013, July) The Journal of Physical Chemistry A Vol. 117 (28) American Chemical Society (ACS)

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Tao, Guohua (2014) Electronically Nonadiabatic Dynamics in Singlet Fission: A Quasi-Classical Trajectory Simulation. The Journal of Physical Chemistry C, 118 (31). 17299-17305 doi:10.1021/jp5038602
Herman, Michael F. (2005) Toward an Accurate and Efficient Semiclassical Surface Hopping Procedure for Nonadiabatic Problems. The Journal of Physical Chemistry A, 109 (41). 9196-9205 doi:10.1021/jp052652l
Miller, William H. (2009) Electronically Nonadiabatic Dynamics via Semiclassical Initial Value Methods. The Journal of Physical Chemistry A, 113 (8). 1405-1415 doi:10.1021/jp809907p
Volobuev, Yuri L., Hack, Michael D., Truhlar, Donald G. (1999) Are Semiclassical Methods Accurate for Electronically Nonadiabatic Transitions between Weakly Coupled Potential Energy Surfaces?. The Journal of Physical Chemistry A, 103 (31). 6225-6233 doi:10.1021/jp9904163
Topaler, Maria S., Allison, Thomas C., Schwenke, David W., Truhlar, Donald G. (1998) Test of Trajectory Surface Hopping Against Accurate Quantum Dynamics for an Electronically Nonadiabatic Chemical Reaction. The Journal of Physical Chemistry A, 102 (10). 1666-1673 doi:10.1021/jp9731922
Sun, Xiong, Miller, William H. (1997) Semiclassical initial value representation for electronically nonadiabatic molecular dynamics. The Journal of Chemical Physics, 106 (15). 6346-6353 doi:10.1063/1.473624
Jarerattanachat, Viwan, Karttunen, Mikko, Wong-ekkabut, Jirasak (2013) Molecular Dynamics Study of Oxidized Lipid Bilayers in NaCl Solution. The Journal of Physical Chemistry B, 117 (28). 8490-8501 doi:10.1021/jp4040612
Tao, Guohua (2016) Nonequilibrium Electron-Coupled Lithium Ion Diffusion in LiFePO4: Nonadiabatic Dynamics with Multistate Trajectory Approach. The Journal of Physical Chemistry C, 120 (13). 6938-6952 doi:10.1021/acs.jpcc.5b12676
Takatsuka, Kazuo, Nakamura, Hiroki (1986) Semiclassical theory in phase space for molecular processes. III. Electronically nonadiabatic transitions in multidimensional systems. The Journal of Chemical Physics, 85 (10). 5779-5790 doi:10.1063/1.451540
Tao, Guohua, Shen, Na (2017) Mapping State Space to Quasiclassical Trajectory Dynamics in Coherence-Controlled Nonadiabatic Simulations for Condensed Phase Problems. The Journal of Physical Chemistry A, 121 (8). 1734-1747 doi:10.1021/acs.jpca.6b10936
Schröter, M., Kühn, O. (2013) Interplay Between Nonadiabatic Dynamics and Frenkel Exciton Transfer in Molecular Aggregates: Formulation and Application to a Perylene Bismide Model. The Journal of Physical Chemistry A, 117 (32). 7580-7588 doi:10.1021/jp402587p
 
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