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The Journal of Physical Chemistry. A
|
January 13, 2006
Quantum simulation of a hydrated noradrenaline analog with the torsional path integral method
Thomas F Miller, David C Clary
The Journal of Chemical Physics
|
October 29, 2005
Quantum diffusion in liquid water from ring polymer molecular dynamics
Thomas F Miller, David E Manolopoulos
The Journal of Physical Chemistry. A
|
December 31, 2013
Position-specific and clumped stable isotope studies: comparison of the Urey and path-integral approaches for carbon dioxide, nitrous oxide, methane, and propane
Michael A Webb, Thomas F Miller
The Journal of Chemical Physics
|
April 12, 2013
Direct simulation of proton-coupled electron transfer across multiple regimes
Joshua S Kretchmer, Thomas F Miller
The Journal of Chemical Physics
|
January 26, 2010
Ring polymer molecular dynamics beyond the linear response regime: Excess electron injection and trapping in liquids
Artur R Menzeleev, Thomas F Miller
The Journal of Biological Chemistry
|
September 20, 2014
Allosteric response and substrate sensitivity in peptide binding of the signal recognition particle
Connie Y Wang, Thomas F Miller
Inorganic Chemistry
|
October 7, 2015
Tipping the Balance between Concerted versus Sequential Proton-Coupled Electron Transfer
Joshua S Kretchmer, Thomas F Miller
The Journal of Chemical Physics
|
September 15, 2022
Molecular dipole moment learning via rotationally equivariant derivative kernels in molecular-orbital-based machine learning
Jiace Sun, Lixue Cheng, Thomas F Miller
The Journal of Chemical Physics
|
April 4, 2020
Microcanonical rates from ring-polymer molecular dynamics: Direct-shooting, stationary-phase, and maximum-entropy approaches
Xuecheng Tao, Philip Shushkov, Thomas F Miller
The Journal of Chemical Physics
|
March 17, 2018
Path-integral isomorphic Hamiltonian for including nuclear quantum effects in non-adiabatic dynamics
Xuecheng Tao, Philip Shushkov, Thomas F Miller
Page
of 12
Search research articles
Search
Showing results (11-20 of 111) with videos related to
Sort By:
Page
of 12
The Journal of Physical Chemistry. A
|
January 13, 2006
Quantum simulation of a hydrated noradrenaline analog with the torsional path integral method
Thomas F Miller, David C Clary
The Journal of Chemical Physics
|
October 29, 2005
Quantum diffusion in liquid water from ring polymer molecular dynamics
Thomas F Miller, David E Manolopoulos
The Journal of Physical Chemistry. A
|
December 31, 2013
Position-specific and clumped stable isotope studies: comparison of the Urey and path-integral approaches for carbon dioxide, nitrous oxide, methane, and propane
Michael A Webb, Thomas F Miller
The Journal of Chemical Physics
|
April 12, 2013
Direct simulation of proton-coupled electron transfer across multiple regimes
Joshua S Kretchmer, Thomas F Miller
The Journal of Chemical Physics
|
January 26, 2010
Ring polymer molecular dynamics beyond the linear response regime: Excess electron injection and trapping in liquids
Artur R Menzeleev, Thomas F Miller
The Journal of Biological Chemistry
|
September 20, 2014
Allosteric response and substrate sensitivity in peptide binding of the signal recognition particle
Connie Y Wang, Thomas F Miller
Inorganic Chemistry
|
October 7, 2015
Tipping the Balance between Concerted versus Sequential Proton-Coupled Electron Transfer
Joshua S Kretchmer, Thomas F Miller
The Journal of Chemical Physics
|
September 15, 2022
Molecular dipole moment learning via rotationally equivariant derivative kernels in molecular-orbital-based machine learning
Jiace Sun, Lixue Cheng, Thomas F Miller
The Journal of Chemical Physics
|
April 4, 2020
Microcanonical rates from ring-polymer molecular dynamics: Direct-shooting, stationary-phase, and maximum-entropy approaches
Xuecheng Tao, Philip Shushkov, Thomas F Miller
The Journal of Chemical Physics
|
March 17, 2018
Path-integral isomorphic Hamiltonian for including nuclear quantum effects in non-adiabatic dynamics
Xuecheng Tao, Philip Shushkov, Thomas F Miller
Page
of 12