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Physical Chemistry Chemical Physics : PCCP
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August 3, 2022
Reaction-intermediate-induced atomic mobility in heterogeneous metal catalysts for electrochemical reduction of CO<sub>2</sub>
Feng Li, Ce Zhou, Eliana Feygin, et al.
Physical Review Letters
|
September 17, 2019
Suppression of Parahydrogen Superfluidity in a Doped Nanoscale Bose Fluid Mixture
Hui Li, Xiao-Long Zhang, Tao Zeng, et al.
The Journal of Chemical Physics
|
March 10, 2011
Determination of molecular vibrational state energies using the ab initio semiclassical initial value representation: application to formaldehyde
Stephanie Y Y Wong, David M Benoit, Marius Lewerenz, et al.
The Journal of Chemical Physics
|
January 2, 2025
Path integral Monte Carlo in a discrete variable representation with Gibbs sampling: Dipolar planar rotor chain
Wenxue Zhang, Muhammad Shaeer Moeed, Andrew Bright, et al.
The Journal of Chemical Physics
|
February 20, 2022
Ro-translational dynamics of confined water. I. The confined asymmetric rotor model
Clément Wespiser, Thomas Putaud, Yulia Kalugina, et al.
The Journal of Chemical Physics
|
November 3, 2025
Qubit encodings for lattices of dipolar planar rotors
Muhammad Shaeer Moeed, James Brown, Alexander Ibrahim, et al.
The Journal of Chemical Physics
|
June 28, 2013
On the analytical representation of free energy profiles with a Morse/long-range model: application to the water dimer
Yalina Tritzant-Martinez, Tao Zeng, Aron Broom, et al.
Journal of Chemical Theory and Computation
|
November 29, 2015
Conformational Analysis of Arabinofuranosides: Prediction of (3)JH,H Using MD Simulations with DFT-Derived Spin-Spin Coupling Profiles
Hashem A Taha, Norberto Castillo, Devin N Sears, et al.
Journal of Chemical Theory and Computation
|
October 24, 2014
Approach for the Simulation and Modeling of Flexible Rings: Application to the α-D-Arabinofuranoside Ring, a Key Constituent of Polysaccharides from <i>Mycobacterium tuberculosis.</i>
Mikyung Seo, Norberto Castillo, Robert Ganzynkowicz, et al.
Journal of Chemical Theory and Computation
|
November 26, 2015
Conformational Analysis of Oligoarabinofuranosides: Overcoming Torsional Barriers with Umbrella Sampling
Shahidul M Islam, Michele R Richards, Hashem A Taha, et al.
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of 9
Search research articles
Search
Showing results (71-80 of 82) with videos related to
Sort By:
Page
of 9
Physical Chemistry Chemical Physics : PCCP
|
August 3, 2022
Reaction-intermediate-induced atomic mobility in heterogeneous metal catalysts for electrochemical reduction of CO<sub>2</sub>
Feng Li, Ce Zhou, Eliana Feygin, et al.
Physical Review Letters
|
September 17, 2019
Suppression of Parahydrogen Superfluidity in a Doped Nanoscale Bose Fluid Mixture
Hui Li, Xiao-Long Zhang, Tao Zeng, et al.
The Journal of Chemical Physics
|
March 10, 2011
Determination of molecular vibrational state energies using the ab initio semiclassical initial value representation: application to formaldehyde
Stephanie Y Y Wong, David M Benoit, Marius Lewerenz, et al.
The Journal of Chemical Physics
|
January 2, 2025
Path integral Monte Carlo in a discrete variable representation with Gibbs sampling: Dipolar planar rotor chain
Wenxue Zhang, Muhammad Shaeer Moeed, Andrew Bright, et al.
The Journal of Chemical Physics
|
February 20, 2022
Ro-translational dynamics of confined water. I. The confined asymmetric rotor model
Clément Wespiser, Thomas Putaud, Yulia Kalugina, et al.
The Journal of Chemical Physics
|
November 3, 2025
Qubit encodings for lattices of dipolar planar rotors
Muhammad Shaeer Moeed, James Brown, Alexander Ibrahim, et al.
The Journal of Chemical Physics
|
June 28, 2013
On the analytical representation of free energy profiles with a Morse/long-range model: application to the water dimer
Yalina Tritzant-Martinez, Tao Zeng, Aron Broom, et al.
Journal of Chemical Theory and Computation
|
November 29, 2015
Conformational Analysis of Arabinofuranosides: Prediction of (3)JH,H Using MD Simulations with DFT-Derived Spin-Spin Coupling Profiles
Hashem A Taha, Norberto Castillo, Devin N Sears, et al.
Journal of Chemical Theory and Computation
|
October 24, 2014
Approach for the Simulation and Modeling of Flexible Rings: Application to the α-D-Arabinofuranoside Ring, a Key Constituent of Polysaccharides from <i>Mycobacterium tuberculosis.</i>
Mikyung Seo, Norberto Castillo, Robert Ganzynkowicz, et al.
Journal of Chemical Theory and Computation
|
November 26, 2015
Conformational Analysis of Oligoarabinofuranosides: Overcoming Torsional Barriers with Umbrella Sampling
Shahidul M Islam, Michele R Richards, Hashem A Taha, et al.
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of 9