Publications by authors named "Xinyou Ma"

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Photoswitching dynamics of a guanidine anion receptor.
Ying-Zhong Ma, Jeffrey D Einkauf, Xinyou Ma, Duy-Khoi Dang, Paul M Zimmerman

Phys Chem Chem Phys· June 2025

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Photoisomerization mechanism of iminoguanidinium receptors from spectroscopic methods and quantum chemical calculations.
Duy-Khoi Dang, Jeffrey D Einkauf, Xinyou Ma, Radu Custelcean, Ying-Zhong Ma, Paul M Zimmerman

Phys Chem Chem Phys· September 2024

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Molecular Tuning of Reactivity of Zeolite Protons in HZSM-5.
Yaxin Chen, Xinyou Ma, John H Hack, Shuhao Zhang, Anyang Peng, Andrei Tokmakoff, Mayfair C Kung

J Am Chem Soc· April 2024

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Differential Condensation of Methane Isotopologues Leading to Isotopic Enrichment under Non-equilibrium Gas-Surface Collision Conditions.
Michelle R Brann, Stephen P Hansknecht, Xinyou Ma, S J Sibener

J Phys Chem A· October 2021

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Advanced Materials for Energy-Water Systems: The Central Role of Water/Solid Interfaces in Adsorption, Reactivity, and Transport.
Edward Barry, Raelyn Burns, Wei Chen, Guilhem X De Hoe, Joan Manuel Montes De Oca, Xinyou Ma, Anil Mane, Alex B F Martinson, Matthew V Tirrell, Andrei Tokmakoff

Chem Rev· August 2021

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Single Solvent Molecules Induce Dual Nucleophiles in Gas-Phase Ion-Molecule Nucleophilic Substitution Reactions.
Chongyang Zhao, Xinyou Ma, Xiangyu Wu, Ditte L Thomsen, Veronica M Bierbaum

J Phys Chem Lett· August 2021

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Structural Characterization of Protonated Water Clusters Confined in HZSM-5 Zeolites.
John H Hack, James P Dombrowski, Xinyou Ma, Yaxin Chen, Nicholas H C Lewis, Andrei Tokmakoff

J Am Chem Soc· July 2021

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Time-Dependent Perspective for the Intramolecular Couplings of the N-H Stretches of Protonated Tryptophan.
Alexander Kaiser, Bhumika Jayee, Yuxuan Yao, Xinyou Ma, Roland Wester

J Phys Chem A· May 2020

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Is CHNC isomerization an intrinsic non-RRKM unimolecular reaction?
Bhumika Jayee, Shreyas Malpathak, Xinyou Ma, William L Hase

J Chem Phys· November 2019

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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

Biochim Biophys Acta Bioenerg· August 2019

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Addressing an instability in unrestricted density functional theory direct dynamics simulations.
Shreyas Malpathak, Xinyou Ma, William L Hase

J Comput Chem· March 2019

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Pronounced changes in atomistic mechanisms for the Cl + CHI S2 reaction with increasing collision energy.
Subha Pratihar, Maria Carolina Nicola Barbosa Muniz, Xinyou Ma, Itamar Borges, William L Hase

Phys Chem Chem Phys· January 2019

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A quantum mechanical insight into S2 reactions: Semiclassical initial value representation calculations of vibrational features of the Cl⋯CHCl pre-reaction complex with the VENUS suite of codes.
Xinyou Ma, Giovanni Di Liberto, Riccardo Conte, William L Hase, Michele Ceotto

J Chem Phys· October 2018

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Anharmonic Densities of States for Vibrationally Excited I(HO), (HO), and I(HO).
Xinyou Ma, Nan Yang, Mark A Johnson, William L Hase

J Chem Theory Comput· August 2018

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Direct dynamics simulations of the unimolecular dissociation of dioxetane: Probing the non-RRKM dynamics.
Shreyas Malpathak, Xinyou Ma, William L Hase

J Chem Phys· April 2018

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Post-transition state dynamics and product energy partitioning following thermal excitation of the F⋯HCHCN transition state: Disagreement with experiment.
Subha Pratihar, Xinyou Ma, Jing Xie, Rebecca Scott, Eric Gao

J Chem Phys· October 2017

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Potential energy surface stationary points and dynamics of the F + CHI double inversion mechanism.
Yong-Tao Ma, Xinyou Ma, Anyang Li, Hua Guo, Li Yang

Phys Chem Chem Phys· August 2017

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Perspective: chemical dynamics simulations of non-statistical reaction dynamics.
Xinyou Ma, William L Hase

Philos Trans A Math Phys Eng Sci· April 2017

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Direct Chemical Dynamics Simulations.
Subha Pratihar, Xinyou Ma, Zahra Homayoon, George L Barnes, William L Hase

J Am Chem Soc· March 2017

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Competing E2 and S2 Mechanisms for the F + CHCHI Reaction.
Li Yang, Jiaxu Zhang, Jing Xie, Xinyou Ma, Linyao Zhang

J Phys Chem A· February 2017

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Chemical Dynamics Simulations of Benzene Dimer Dissociation.
Xinyou Ma, Amit K Paul, William L Hase

J Phys Chem A· June 2015

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