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The Journal of Physical Chemistry Letters
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August 31, 2023
Nuclear Quantum Dynamics of Three-Dimensional Condensed-Phase Systems by Constant Uncertainty Molecular Dynamics
Taisuke Hasegawa
The Journal of Chemical Physics
|
November 10, 2016
Communication: Constant uncertainty molecular dynamics: A simple and efficient algorithm to incorporate quantum nature into a real-time molecular dynamics simulation
Taisuke Hasegawa
The Journal of Chemical Physics
|
September 1, 2006
Calculating fifth-order Raman signals for various molecular liquids by equilibrium and nonequilibrium hybrid molecular dynamics simulation algorithms
Taisuke Hasegawa, Yoshitaka Tanimura
The Journal of Physical Chemistry. B
|
April 14, 2011
A polarizable water model for intramolecular and intermolecular vibrational spectroscopies
Taisuke Hasegawa, Yoshitaka Tanimura
The Journal of Chemical Physics
|
February 20, 2008
Nonequilibrium molecular dynamics simulations with a backward-forward trajectories sampling for multidimensional infrared spectroscopy of molecular vibrational modes
Taisuke Hasegawa, Yoshitaka Tanimura
The Journal of Chemical Physics
|
May 30, 2006
Analyzing atomic liquids and solids by means of two-dimensional Raman spectra in frequency domain
Yuki Nagata, Taisuke Hasegawa, Yoshitaka Tanimura
The Journal of Chemical Physics
|
October 3, 2014
Calculating two-dimensional THz-Raman-THz and Raman-THz-THz signals for various molecular liquids: the samplers
Hironobu Ito, Taisuke Hasegawa, Yoshitaka Tanimura
The Journal of Physical Chemistry Letters
|
October 1, 2016
Effects of Intermolecular Charge Transfer in Liquid Water on Raman Spectra
Hironobu Ito, Taisuke Hasegawa, Yoshitaka Tanimura
The Journal of Physical Chemistry Letters
|
September 25, 2023
A Combined Reaction Path Search and Hybrid Solvation Method for the Systematic Exploration of Elementary Reactions at the Solid-Liquid Interface
Taisuke Hasegawa, Satoshi Hagiwara, Minoru Otani, et al.
The Journal of Physical Chemistry. B
|
August 29, 2024
Exploring Protonation State, Ion Binding, and Photoactivated Channel Opening of an Anion Channelrhodopsin by Molecular Simulations
Takafumi Shikakura, Cheng Cheng, Taisuke Hasegawa, et al.
Page
of 4
Search research articles
Search
Showing results (1-10 of 37) with videos related to
Sort By:
Page
of 4
The Journal of Physical Chemistry Letters
|
August 31, 2023
Nuclear Quantum Dynamics of Three-Dimensional Condensed-Phase Systems by Constant Uncertainty Molecular Dynamics
Taisuke Hasegawa
The Journal of Chemical Physics
|
November 10, 2016
Communication: Constant uncertainty molecular dynamics: A simple and efficient algorithm to incorporate quantum nature into a real-time molecular dynamics simulation
Taisuke Hasegawa
The Journal of Chemical Physics
|
September 1, 2006
Calculating fifth-order Raman signals for various molecular liquids by equilibrium and nonequilibrium hybrid molecular dynamics simulation algorithms
Taisuke Hasegawa, Yoshitaka Tanimura
The Journal of Physical Chemistry. B
|
April 14, 2011
A polarizable water model for intramolecular and intermolecular vibrational spectroscopies
Taisuke Hasegawa, Yoshitaka Tanimura
The Journal of Chemical Physics
|
February 20, 2008
Nonequilibrium molecular dynamics simulations with a backward-forward trajectories sampling for multidimensional infrared spectroscopy of molecular vibrational modes
Taisuke Hasegawa, Yoshitaka Tanimura
The Journal of Chemical Physics
|
May 30, 2006
Analyzing atomic liquids and solids by means of two-dimensional Raman spectra in frequency domain
Yuki Nagata, Taisuke Hasegawa, Yoshitaka Tanimura
The Journal of Chemical Physics
|
October 3, 2014
Calculating two-dimensional THz-Raman-THz and Raman-THz-THz signals for various molecular liquids: the samplers
Hironobu Ito, Taisuke Hasegawa, Yoshitaka Tanimura
The Journal of Physical Chemistry Letters
|
October 1, 2016
Effects of Intermolecular Charge Transfer in Liquid Water on Raman Spectra
Hironobu Ito, Taisuke Hasegawa, Yoshitaka Tanimura
The Journal of Physical Chemistry Letters
|
September 25, 2023
A Combined Reaction Path Search and Hybrid Solvation Method for the Systematic Exploration of Elementary Reactions at the Solid-Liquid Interface
Taisuke Hasegawa, Satoshi Hagiwara, Minoru Otani, et al.
The Journal of Physical Chemistry. B
|
August 29, 2024
Exploring Protonation State, Ion Binding, and Photoactivated Channel Opening of an Anion Channelrhodopsin by Molecular Simulations
Takafumi Shikakura, Cheng Cheng, Taisuke Hasegawa, et al.
Page
of 4