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Journal of Chemical Theory and Computation
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November 27, 2015
Conformational Studies of Methyl β-d-Arabinofuranoside Using the AMBER/GLYCAM Approach
Hashem A Taha, Norberto Castillo, Pierre-Nicholas Roy, et al.
The Journal of Chemical Physics
|
October 9, 2025
Path integral Monte Carlo in the angular momentum basis for a chain of planar rotors
Estêvão V B de Oliveira, Muhammad Shaeer Moeed, Pierre-Nicholas Roy
The Journal of Chemical Physics
|
November 5, 2013
Analytic Morse/long-range potential energy surfaces and predicted infrared spectra for CO-H2 dimer and frequency shifts of CO in (para-H2)N N = 1-20 clusters
Hui Li, Xiao-Long Zhang, Robert J Le Roy, et al.
Journal of the American Chemical Society
|
November 9, 2019
Coupled Cation-Anion Dynamics Enhances Cation Mobility in Room-Temperature Superionic Solid-State Electrolytes
Zhizhen Zhang, Pierre-Nicholas Roy, Hui Li, et al.
The Journal of Chemical Physics
|
July 9, 2021
Comparison of the multi-layer multi-configuration time-dependent Hartree (ML-MCTDH) method and the density matrix renormalization group (DMRG) for ground state properties of linear rotor chains
Samrit Mainali, Fabien Gatti, Dmitri Iouchtchenko, et al.
The Journal of Chemical Physics
|
January 3, 2020
Equation of state and first principles prediction of the vibrational matrix shift of solid parahydrogen
Alexander Ibrahim, Lecheng Wang, Tom Halverson, et al.
Physical Review Letters
|
January 15, 2011
Molecular superfluid: nonclassical rotations in doped para-hydrogen clusters
Hui Li, Robert J Le Roy, Pierre-Nicholas Roy, et al.
The Journal of Physical Chemistry. A
|
June 2, 2011
Theoretical and experimental study of weakly bound CO2-(pH2)2 trimers
Hui Li, A R W McKellar, Robert J Le Roy, et al.
The Journal of Chemical Physics
|
July 10, 2014
First-principles prediction of the Raman shifts in parahydrogen clusters
Nabil Faruk, Matthew Schmidt, Hui Li, et al.
The Journal of Chemical Physics
|
June 21, 2012
A path-integral Langevin equation treatment of low-temperature doped helium clusters
Christopher Ing, Konrad Hinsen, Jing Yang, et al.
Page
of 9
Search research articles
Search
Showing results (61-70 of 82) with videos related to
Sort By:
Page
of 9
Journal of Chemical Theory and Computation
|
November 27, 2015
Conformational Studies of Methyl β-d-Arabinofuranoside Using the AMBER/GLYCAM Approach
Hashem A Taha, Norberto Castillo, Pierre-Nicholas Roy, et al.
The Journal of Chemical Physics
|
October 9, 2025
Path integral Monte Carlo in the angular momentum basis for a chain of planar rotors
Estêvão V B de Oliveira, Muhammad Shaeer Moeed, Pierre-Nicholas Roy
The Journal of Chemical Physics
|
November 5, 2013
Analytic Morse/long-range potential energy surfaces and predicted infrared spectra for CO-H2 dimer and frequency shifts of CO in (para-H2)N N = 1-20 clusters
Hui Li, Xiao-Long Zhang, Robert J Le Roy, et al.
Journal of the American Chemical Society
|
November 9, 2019
Coupled Cation-Anion Dynamics Enhances Cation Mobility in Room-Temperature Superionic Solid-State Electrolytes
Zhizhen Zhang, Pierre-Nicholas Roy, Hui Li, et al.
The Journal of Chemical Physics
|
July 9, 2021
Comparison of the multi-layer multi-configuration time-dependent Hartree (ML-MCTDH) method and the density matrix renormalization group (DMRG) for ground state properties of linear rotor chains
Samrit Mainali, Fabien Gatti, Dmitri Iouchtchenko, et al.
The Journal of Chemical Physics
|
January 3, 2020
Equation of state and first principles prediction of the vibrational matrix shift of solid parahydrogen
Alexander Ibrahim, Lecheng Wang, Tom Halverson, et al.
Physical Review Letters
|
January 15, 2011
Molecular superfluid: nonclassical rotations in doped para-hydrogen clusters
Hui Li, Robert J Le Roy, Pierre-Nicholas Roy, et al.
The Journal of Physical Chemistry. A
|
June 2, 2011
Theoretical and experimental study of weakly bound CO2-(pH2)2 trimers
Hui Li, A R W McKellar, Robert J Le Roy, et al.
The Journal of Chemical Physics
|
July 10, 2014
First-principles prediction of the Raman shifts in parahydrogen clusters
Nabil Faruk, Matthew Schmidt, Hui Li, et al.
The Journal of Chemical Physics
|
June 21, 2012
A path-integral Langevin equation treatment of low-temperature doped helium clusters
Christopher Ing, Konrad Hinsen, Jing Yang, et al.
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of 9