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Xinyou Ma
Researcher at University of Chicago
Publications - 27
Citations - 454
Xinyou Ma is an academic researcher from University of Chicago. The author has contributed to research in topics: Potential energy surface & Excited state. The author has an hindex of 10, co-authored 26 publications receiving 331 citations. Previous affiliations of Xinyou Ma include Argonne National Laboratory & Texas Tech University.
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Journal ArticleDOI
Direct Chemical Dynamics Simulations.
TL;DR: Direct dynamics simulation studies are described for bimolecular SN2 nucleophilic substitution, unimolecular decomposition, post-transition-state dynamics, mass spectrometry experiments, and semiclassical vibrational spectra.
Journal ArticleDOI
Perspective: chemical dynamics simulations of non-statistical reaction dynamics.
Xinyou Ma,William L. Hase +1 more
TL;DR: Non-statistical chemical dynamics are discussed for chemical reactions, with results primarily obtained from chemical dynamics simulations and to a lesser extent from experiment.
Journal ArticleDOI
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,Joan Manuel Montes de Oca,Juan J. de Pablo,Juan J. de Pablo,James P. Dombrowski,James P. Dombrowski,Jeffrey W. Elam,Alanna M Felts,Alanna M Felts,Giulia Galli,Giulia Galli,John H. Hack,John H. Hack,Qiming He,Xiang He,Eli Hoenig,Eli Hoenig,Aysenur Iscen,Aysenur Iscen,Benjamin Kash,Harold H. Kung,Harold H. Kung,Nick Lewis,Nick Lewis,Chong Liu,Chong Liu,Xinyou Ma,Xinyou Ma,Anil U. Mane,Alex B. F. Martinson,Karen L. Mulfort,Julia G. Murphy,Julia G. Murphy,Kristian Mølhave,Kristian Mølhave,Paul F. Nealey,Paul F. Nealey,Yijun Qiao,Vepa Rozyyev,George C. Schatz,George C. Schatz,Steven J. Sibener,Steven J. Sibener,Dmitri V. Talapin,Dmitri V. Talapin,David M. Tiede,Matthew Tirrell,Andrei Tokmakoff,Andrei Tokmakoff,Gregory A. Voth,Gregory A. Voth,Zhongyang Wang,Zhongyang Wang,Zifan Ye,Zifan Ye,Murat Nulati Yesibolati,Murat Nulati Yesibolati,Nestor J. Zaluzec,Seth B. Darling +62 more
TL;DR: The current state of knowledge surrounding adsorption, reactivity, and transport in several key classes of water/solid interfaces is examined, drawing on a synergistic combination of theory, simulation, and experiments, and an outlook for prioritizing strategic research directions is provided.
Journal ArticleDOI
Potential energy surface stationary points and dynamics of the F− + CH3I double inversion mechanism
TL;DR: Direct dynamics simulations were performed to study the SN2 double inversion mechanism SN2-DI, with retention of configuration, for the F- + CH3I reaction, and results are disappointing.
Journal ArticleDOI
Competing E2 and SN2 Mechanisms for the F– + CH3CH2I Reaction
TL;DR: Geometrical analysis confirmed synchronous E2-type transition states for the elimination of the current reaction, instead of nonconcerted processes through E1cb-like and E1-like mechanisms, which indicates that, in evaluating the competition between E2 and SN2 processes, the kinetic or dynamical factors may play a significant role.