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Philosophical Transactions. Series A, Mathematical, Physical, and Engineering Sciences
|
March 22, 2017
Perspective: chemical dynamics simulations of non-statistical reaction dynamics
Xinyou Ma, William L Hase
Biochimica Et Biophysica Acta. Bioenergetics
|
June 29, 2019
Interaction between γC87 and γR242 residues participates in energy coupling between catalysis and proton translocation in Escherichia coli ATP synthase
Yunxiang Li, Xinyou Ma, Joachim Weber
Journal of Computational Chemistry
|
October 29, 2018
Addressing an instability in unrestricted density functional theory direct dynamics simulations
Shreyas Malpathak, Xinyou Ma, William L Hase
The Journal of Chemical Physics
|
May 3, 2018
Direct dynamics simulations of the unimolecular dissociation of dioxetane: Probing the non-RRKM dynamics
Shreyas Malpathak, Xinyou Ma, William L Hase
The Journal of Physical Chemistry. A
|
May 30, 2015
Chemical Dynamics Simulations of Benzene Dimer Dissociation
Xinyou Ma, Amit K Paul, William L Hase
The Journal of Chemical Physics
|
November 17, 2019
Is CH<sub>3</sub>NC isomerization an intrinsic non-RRKM unimolecular reaction?
Bhumika Jayee, Shreyas Malpathak, Xinyou Ma, et al.
Journal of Chemical Theory and Computation
|
June 27, 2018
Anharmonic Densities of States for Vibrationally Excited I<sup>-</sup>(H<sub>2</sub>O), (H<sub>2</sub>O)<sub>2</sub>, and I<sup>-</sup>(H<sub>2</sub>O)<sub>2</sub>
Xinyou Ma, Nan Yang, Mark A Johnson, et al.
The Journal of Physical Chemistry. A
|
October 18, 2021
Differential Condensation of Methane Isotopologues Leading to Isotopic Enrichment under Non-equilibrium Gas-Surface Collision Conditions
Michelle R Brann, Stephen P Hansknecht, Xinyou Ma, et al.
The Journal of Chemical Physics
|
November 3, 2018
A quantum mechanical insight into S<sub>N</sub>2 reactions: Semiclassical initial value representation calculations of vibrational features of the Cl<sup>-</sup>⋯CH<sub>3</sub>Cl pre-reaction complex with the VENUS suite of codes
Xinyou Ma, Giovanni Di Liberto, Riccardo Conte, et al.
Journal of the American Chemical Society
|
January 25, 2017
Direct Chemical Dynamics Simulations
Subha Pratihar, Xinyou Ma, Zahra Homayoon, et al.
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Search research articles
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Showing results (1-10 of 21) with videos related to
Sort By:
Page
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Philosophical Transactions. Series A, Mathematical, Physical, and Engineering Sciences
|
March 22, 2017
Perspective: chemical dynamics simulations of non-statistical reaction dynamics
Xinyou Ma, William L Hase
Biochimica Et Biophysica Acta. Bioenergetics
|
June 29, 2019
Interaction between γC87 and γR242 residues participates in energy coupling between catalysis and proton translocation in Escherichia coli ATP synthase
Yunxiang Li, Xinyou Ma, Joachim Weber
Journal of Computational Chemistry
|
October 29, 2018
Addressing an instability in unrestricted density functional theory direct dynamics simulations
Shreyas Malpathak, Xinyou Ma, William L Hase
The Journal of Chemical Physics
|
May 3, 2018
Direct dynamics simulations of the unimolecular dissociation of dioxetane: Probing the non-RRKM dynamics
Shreyas Malpathak, Xinyou Ma, William L Hase
The Journal of Physical Chemistry. A
|
May 30, 2015
Chemical Dynamics Simulations of Benzene Dimer Dissociation
Xinyou Ma, Amit K Paul, William L Hase
The Journal of Chemical Physics
|
November 17, 2019
Is CH<sub>3</sub>NC isomerization an intrinsic non-RRKM unimolecular reaction?
Bhumika Jayee, Shreyas Malpathak, Xinyou Ma, et al.
Journal of Chemical Theory and Computation
|
June 27, 2018
Anharmonic Densities of States for Vibrationally Excited I<sup>-</sup>(H<sub>2</sub>O), (H<sub>2</sub>O)<sub>2</sub>, and I<sup>-</sup>(H<sub>2</sub>O)<sub>2</sub>
Xinyou Ma, Nan Yang, Mark A Johnson, et al.
The Journal of Physical Chemistry. A
|
October 18, 2021
Differential Condensation of Methane Isotopologues Leading to Isotopic Enrichment under Non-equilibrium Gas-Surface Collision Conditions
Michelle R Brann, Stephen P Hansknecht, Xinyou Ma, et al.
The Journal of Chemical Physics
|
November 3, 2018
A quantum mechanical insight into S<sub>N</sub>2 reactions: Semiclassical initial value representation calculations of vibrational features of the Cl<sup>-</sup>⋯CH<sub>3</sub>Cl pre-reaction complex with the VENUS suite of codes
Xinyou Ma, Giovanni Di Liberto, Riccardo Conte, et al.
Journal of the American Chemical Society
|
January 25, 2017
Direct Chemical Dynamics Simulations
Subha Pratihar, Xinyou Ma, Zahra Homayoon, et al.
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