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The Journal of Chemical Physics
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December 27, 2012
An intramolecular vibrationally excited intermolecular potential for He-OCS: Globally tested by simulation of vibrational shifts for OCS in HeNN = 1 - 100 Clusters
Hui Li, Yong-Tao Ma
Journal of Chemical Theory and Computation
|
February 17, 2026
Orbital Surface Hopping with an Electron Thermostat Yields Accurate Dynamics and Detailed Balance
Yong-Tao Ma, Wenjie Dou
The Journal of Chemical Physics
|
June 9, 2014
Analytical Morse/long-range model potential and predicted infrared and microwave spectra for a symmetric top-atom dimer: a case study of CH₃F-He
Yong-Tao Ma, Tao Zeng, Hui Li
Journal of Chemical Theory and Computation
|
March 21, 2025
Orbital Surface Hopping from the Orbital Quantum-Classical Liouville Equation for Nonadiabatic Dynamics of Many-Electron Systems
Yong-Tao Ma, Rui-Hao Bi, Wenjie Dou
The Journal of Chemical Physics
|
January 10, 2016
The origins of intra- and inter-molecular vibrational couplings: A case study of H2O-Ar on full and reduced-dimensional potential energy surface
Dan Hou, Yong-Tao Ma, Xiao-Long Zhang, et al.
The Journal of Chemical Physics
|
April 2, 2018
Analytic Morse/long-range potential energy surfaces and "adiabatic-hindered-rotor" treatment for a symmetric top-linear molecule dimer: A case study of CH<sub>3</sub>F-H<sub>2</sub>
Xiao-Long Zhang, Yong-Tao Ma, Yu Zhai, et al.
The Journal of Chemical Physics
|
August 24, 2019
Full quantum calculation of the rovibrational states and intensities for a symmetric top-linear molecule dimer: Hamiltonian, basis set, and matrix elements
Xiao-Long Zhang, Yong-Tao Ma, Yu Zhai, et al.
Acta Crystallographica. Section E, Structure Reports Online
|
May 18, 2011
Bromido{dicyclo-hexyl[2'-(dimethyl-amino)biphenyl-2-yl]phosphine-κP}[2-(4,6-dimethyl-pyrimidin-2-yl)ferrocenyl-κC,N]palladium(II) dichloro-methane solvate
Xin-Qi Hao, Hong-Mei Li, Hui Jiang, et al.
Journal of Chemical Theory and Computation
|
January 25, 2019
Top-down Multiscale Approach To Simulate Peptide Self-Assembly from Monomers
Xiaochuan Zhao, Chenyi Liao, Yong-Tao Ma, et al.
Physical Chemistry Chemical Physics : PCCP
|
July 21, 2017
Potential energy surface stationary points and dynamics of the F<sup>-</sup> + CH<sub>3</sub>I double inversion mechanism
Yong-Tao Ma, Xinyou Ma, Anyang Li, et al.
Page
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Search research articles
Search
Showing results (1-10 of 15) with videos related to
Sort By:
Page
of 2
The Journal of Chemical Physics
|
December 27, 2012
An intramolecular vibrationally excited intermolecular potential for He-OCS: Globally tested by simulation of vibrational shifts for OCS in HeNN = 1 - 100 Clusters
Hui Li, Yong-Tao Ma
Journal of Chemical Theory and Computation
|
February 17, 2026
Orbital Surface Hopping with an Electron Thermostat Yields Accurate Dynamics and Detailed Balance
Yong-Tao Ma, Wenjie Dou
The Journal of Chemical Physics
|
June 9, 2014
Analytical Morse/long-range model potential and predicted infrared and microwave spectra for a symmetric top-atom dimer: a case study of CH₃F-He
Yong-Tao Ma, Tao Zeng, Hui Li
Journal of Chemical Theory and Computation
|
March 21, 2025
Orbital Surface Hopping from the Orbital Quantum-Classical Liouville Equation for Nonadiabatic Dynamics of Many-Electron Systems
Yong-Tao Ma, Rui-Hao Bi, Wenjie Dou
The Journal of Chemical Physics
|
January 10, 2016
The origins of intra- and inter-molecular vibrational couplings: A case study of H2O-Ar on full and reduced-dimensional potential energy surface
Dan Hou, Yong-Tao Ma, Xiao-Long Zhang, et al.
The Journal of Chemical Physics
|
April 2, 2018
Analytic Morse/long-range potential energy surfaces and "adiabatic-hindered-rotor" treatment for a symmetric top-linear molecule dimer: A case study of CH<sub>3</sub>F-H<sub>2</sub>
Xiao-Long Zhang, Yong-Tao Ma, Yu Zhai, et al.
The Journal of Chemical Physics
|
August 24, 2019
Full quantum calculation of the rovibrational states and intensities for a symmetric top-linear molecule dimer: Hamiltonian, basis set, and matrix elements
Xiao-Long Zhang, Yong-Tao Ma, Yu Zhai, et al.
Acta Crystallographica. Section E, Structure Reports Online
|
May 18, 2011
Bromido{dicyclo-hexyl[2'-(dimethyl-amino)biphenyl-2-yl]phosphine-κP}[2-(4,6-dimethyl-pyrimidin-2-yl)ferrocenyl-κC,N]palladium(II) dichloro-methane solvate
Xin-Qi Hao, Hong-Mei Li, Hui Jiang, et al.
Journal of Chemical Theory and Computation
|
January 25, 2019
Top-down Multiscale Approach To Simulate Peptide Self-Assembly from Monomers
Xiaochuan Zhao, Chenyi Liao, Yong-Tao Ma, et al.
Physical Chemistry Chemical Physics : PCCP
|
July 21, 2017
Potential energy surface stationary points and dynamics of the F<sup>-</sup> + CH<sub>3</sub>I double inversion mechanism
Yong-Tao Ma, Xinyou Ma, Anyang Li, et al.
Page
of 2