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Likai Du

Showing results (1-10 of 18) with videos related to

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Physical Chemistry Chemical Physics : PCCP|January 14, 2016
Ultrafast structural flattening motion in photoinduced excited state dynamics of a bis(diimine) copper(I) complexLikai Du, Zhenggang Lan
Journal of Chemical Theory and Computation|November 18, 2015
An On-the-Fly Surface-Hopping Program JADE for Nonadiabatic Molecular Dynamics of Polyatomic Systems: Implementation and ApplicationsLikai Du, Zhenggang Lan
Inorganic Chemistry|March 6, 2018
Theoretical Study of the Oxidation of Methane to Methanol by the [Cu<sup>II</sup>Cu<sup>II</sup>(μ-O)<sub>2</sub>Cu<sup>III</sup>(7- N-Etppz)]<sup>1+</sup> ComplexYan Fang Liu, Likai Du
The Journal of Physical Chemistry. B|October 30, 2010
Glycosidic-bond hydrolysis mechanism catalyzed by cellulase Cel7A from Trichoderma reesei: a comprehensive theoretical study by performing MD, QM, and QM/MM calculationsJinghua Li, Likai Du, Lushan Wang
Journal of Molecular Modeling|June 13, 2018
How a single 5-methylation of cytosine regulates the recognition of C/EBPβ transcription factor: a molecular dynamic simulation studyLihua Bie, Likai Du, Qiaoxia Yuan, et al.
Journal of Computational Chemistry|November 22, 2014
Theoretical analysis of excited states and energy transfer mechanism in conjugated dendrimersJing Huang, Likai Du, Deping Hu, et al.
The Journal of Physical Chemistry. A|May 29, 2015
Photoinduced Ultrafast Intramolecular Excited-State Energy Transfer in the Silylene-Bridged Biphenyl and Stilbene (SBS) System: A Nonadiabatic Dynamics Point of ViewJun Wang, Jing Huang, Likai Du, et al.
Photochemical & Photobiological Sciences : Official Journal of the European Photochemistry Association and the European Society for Photobiology|December 17, 2016
Hydrogen bond dynamics governs the effective photoprotection mechanism of plant phenolic sunscreensFang Liu, Likai Du, Zhenggang Lan, et al.
The Journal of Physical Chemistry. B|September 7, 2012
Water-dependent reaction pathways: an essential factor for the catalysis in HEPD enzymeLikai Du, Jun Gao, Yongjun Liu, et al.
Scientific Reports|August 20, 2017
Direct Learning Hidden Excited State Interaction Patterns from ab initio Dynamics and Its Implication as Alternative Molecular Mechanism ModelsFang Liu, Likai Du, Dongju Zhang, et al.
Pageof 2

Showing results (1-10 of 18) with videos related to

Sort By:
Pageof 2
Physical Chemistry Chemical Physics : PCCP|January 14, 2016
Ultrafast structural flattening motion in photoinduced excited state dynamics of a bis(diimine) copper(I) complexLikai Du, Zhenggang Lan
Journal of Chemical Theory and Computation|November 18, 2015
An On-the-Fly Surface-Hopping Program JADE for Nonadiabatic Molecular Dynamics of Polyatomic Systems: Implementation and ApplicationsLikai Du, Zhenggang Lan
Inorganic Chemistry|March 6, 2018
Theoretical Study of the Oxidation of Methane to Methanol by the [Cu<sup>II</sup>Cu<sup>II</sup>(μ-O)<sub>2</sub>Cu<sup>III</sup>(7- N-Etppz)]<sup>1+</sup> ComplexYan Fang Liu, Likai Du
The Journal of Physical Chemistry. B|October 30, 2010
Glycosidic-bond hydrolysis mechanism catalyzed by cellulase Cel7A from Trichoderma reesei: a comprehensive theoretical study by performing MD, QM, and QM/MM calculationsJinghua Li, Likai Du, Lushan Wang
Journal of Molecular Modeling|June 13, 2018
How a single 5-methylation of cytosine regulates the recognition of C/EBPβ transcription factor: a molecular dynamic simulation studyLihua Bie, Likai Du, Qiaoxia Yuan, et al.
Journal of Computational Chemistry|November 22, 2014
Theoretical analysis of excited states and energy transfer mechanism in conjugated dendrimersJing Huang, Likai Du, Deping Hu, et al.
The Journal of Physical Chemistry. A|May 29, 2015
Photoinduced Ultrafast Intramolecular Excited-State Energy Transfer in the Silylene-Bridged Biphenyl and Stilbene (SBS) System: A Nonadiabatic Dynamics Point of ViewJun Wang, Jing Huang, Likai Du, et al.
Photochemical & Photobiological Sciences : Official Journal of the European Photochemistry Association and the European Society for Photobiology|December 17, 2016
Hydrogen bond dynamics governs the effective photoprotection mechanism of plant phenolic sunscreensFang Liu, Likai Du, Zhenggang Lan, et al.
The Journal of Physical Chemistry. B|September 7, 2012
Water-dependent reaction pathways: an essential factor for the catalysis in HEPD enzymeLikai Du, Jun Gao, Yongjun Liu, et al.
Scientific Reports|August 20, 2017
Direct Learning Hidden Excited State Interaction Patterns from ab initio Dynamics and Its Implication as Alternative Molecular Mechanism ModelsFang Liu, Likai Du, Dongju Zhang, et al.
Pageof 2