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The Journal of Chemical Physics
|
July 23, 2005
Collision-induced conformational changes in glycine
Thomas F Miller, David C Clary, Anthony J H M Meijer
The Journal of Chemical Physics
|
July 23, 2004
Army ants algorithm for rare event sampling of delocalized nonadiabatic transitions by trajectory surface hopping and the estimation of sampling errors by the bootstrap method
Shikha Nangia, Ahren W Jasper, Thomas F Miller, et al.
The Journal of Chemical Physics
|
April 10, 2016
Erratum: "Army ants algorithm for rare event sampling of delocalized nonadiabatic transitions by trajectory surface hopping and the estimation of sampling errors by the bootstrap method" [J. Chem. Phys. 120, 3586 (2004)]
Shikha Nangia, Ahren W Jasper, Thomas F Miller, et al.
The Journal of Chemical Physics
|
April 3, 2021
Analytical gradients for molecular-orbital-based machine learning
Sebastian J R Lee, Tamara Husch, Feizhi Ding, et al.
The Journal of Chemical Physics
|
September 7, 2010
Exact nonadditive kinetic potentials for embedded density functional theory
Jason D Goodpaster, Nandini Ananth, Frederick R Manby, et al.
Annual Review of Physical Chemistry
|
January 10, 2013
Ring-polymer molecular dynamics: quantum effects in chemical dynamics from classical trajectories in an extended phase space
Scott Habershon, David E Manolopoulos, Thomas E Markland, et al.
The Journal of Chemical Physics
|
July 17, 2015
Accelerating wavefunction in density-functional-theory embedding by truncating the active basis set
Simon J Bennie, Martina Stella, Thomas F Miller, et al.
The Journal of Chemical Physics
|
January 15, 2021
A generalized class of strongly stable and dimension-free T-RPMD integrators
Jorge L Rosa-Raíces, Jiace Sun, Nawaf Bou-Rabee, et al.
Seminars in Fetal & Neonatal Medicine
|
April 26, 2022
Using real-world data in pediatric clinical trials: Lessons learned and future applications in studies of persistent pulmonary hypertension of the newborn
Thomas F Miller, Andreas Kaiser, Thomas Schmelter, et al.
The Journal of Physical Chemistry. A
|
July 23, 2019
Interpretation of the THz-THz-Raman Spectrum of Bromoform
Ioan B Magdău, Griffin J Mead, Geoffrey A Blake, et al.
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of 12
Search research articles
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Showing results (51-60 of 111) with videos related to
Sort By:
Page
of 12
The Journal of Chemical Physics
|
July 23, 2005
Collision-induced conformational changes in glycine
Thomas F Miller, David C Clary, Anthony J H M Meijer
The Journal of Chemical Physics
|
July 23, 2004
Army ants algorithm for rare event sampling of delocalized nonadiabatic transitions by trajectory surface hopping and the estimation of sampling errors by the bootstrap method
Shikha Nangia, Ahren W Jasper, Thomas F Miller, et al.
The Journal of Chemical Physics
|
April 10, 2016
Erratum: "Army ants algorithm for rare event sampling of delocalized nonadiabatic transitions by trajectory surface hopping and the estimation of sampling errors by the bootstrap method" [J. Chem. Phys. 120, 3586 (2004)]
Shikha Nangia, Ahren W Jasper, Thomas F Miller, et al.
The Journal of Chemical Physics
|
April 3, 2021
Analytical gradients for molecular-orbital-based machine learning
Sebastian J R Lee, Tamara Husch, Feizhi Ding, et al.
The Journal of Chemical Physics
|
September 7, 2010
Exact nonadditive kinetic potentials for embedded density functional theory
Jason D Goodpaster, Nandini Ananth, Frederick R Manby, et al.
Annual Review of Physical Chemistry
|
January 10, 2013
Ring-polymer molecular dynamics: quantum effects in chemical dynamics from classical trajectories in an extended phase space
Scott Habershon, David E Manolopoulos, Thomas E Markland, et al.
The Journal of Chemical Physics
|
July 17, 2015
Accelerating wavefunction in density-functional-theory embedding by truncating the active basis set
Simon J Bennie, Martina Stella, Thomas F Miller, et al.
The Journal of Chemical Physics
|
January 15, 2021
A generalized class of strongly stable and dimension-free T-RPMD integrators
Jorge L Rosa-Raíces, Jiace Sun, Nawaf Bou-Rabee, et al.
Seminars in Fetal & Neonatal Medicine
|
April 26, 2022
Using real-world data in pediatric clinical trials: Lessons learned and future applications in studies of persistent pulmonary hypertension of the newborn
Thomas F Miller, Andreas Kaiser, Thomas Schmelter, et al.
The Journal of Physical Chemistry. A
|
July 23, 2019
Interpretation of the THz-THz-Raman Spectrum of Bromoform
Ioan B Magdău, Griffin J Mead, Geoffrey A Blake, et al.
Page
of 12