| Direct chemical dynamics simulations S Pratihar, X Ma, Z Homayoon, GL Barnes, WL Hase Journal of the American Chemical Society 139 (10), 3570-3590, 2017 | 143 | 2017 |
| Perspective: chemical dynamics simulations of non-statistical reaction dynamics X Ma, WL Hase Philosophical Transactions of the Royal Society A: Mathematical, Physical …, 2017 | 87 | 2017 |
| Advanced materials for energy-water systems: the central role of water/solid interfaces in adsorption, reactivity, and transport E Barry, R Burns, W Chen, GX De Hoe, JMM De Oca, JJ De Pablo, ... Chemical Reviews 121 (15), 9450-9501, 2021 | 66 | 2021 |
| Structural characterization of protonated water clusters confined in HZSM-5 zeolites JH Hack, JP Dombrowski, X Ma, Y Chen, NHC Lewis, WB Carpenter, C Li, ... Journal of the American Chemical Society 143 (27), 10203-10213, 2021 | 58 | 2021 |
| Potential energy surface stationary points and dynamics of the F−+ CH 3 I double inversion mechanism YT Ma, X Ma, A Li, H Guo, L Yang, J Zhang, WL Hase Physical Chemistry Chemical Physics 19 (30), 20127-20136, 2017 | 40 | 2017 |
| Competing E2 and SN2 Mechanisms for the F– + CH3CH2I Reaction L Yang, J Zhang, J Xie, X Ma, L Zhang, C Zhao, WL Hase The Journal of Physical Chemistry A 121 (5), 1078-1085, 2017 | 36 | 2017 |
| Chemical Dynamics Simulations of Benzene Dimer Dissociation X Ma, AK Paul, WL Hase The Journal of Physical Chemistry A 119 (25), 6631-6640, 2015 | 27 | 2015 |
| Effect of microsolvation on the OH−(H2O) n+ CH3I rate constant. comparison of experiment and calculations for OH−(H2O) 2+ CH3I J Xie, X Ma, J Zhang, PM Hierl, AA Viggiano, WL Hase International Journal of Mass Spectrometry 418, 122-129, 2017 | 25 | 2017 |
| Water-assisted proton transport in confined nanochannels X Ma, C Li, ABF Martinson, GA Voth The Journal of Physical Chemistry C 124 (29), 16186-16201, 2020 | 23 | 2020 |
| A quantum mechanical insight into SN2 reactions: semiclassical initial value representation calculations of vibrational features of the Cl−⋯ CH3Cl pre-reaction complex with the … X Ma, G Di Liberto, R Conte, WL Hase, M Ceotto The Journal of Chemical Physics 149 (16), 2018 | 23 | 2018 |
| Model-based analyses of confined polymer electrolyte nanothin films experimentally probed by polarized ATR–FTIR spectroscopy V Ozhukil Kollath, Y Liang, FD Mayer, X Ma, C Korzeniewski, K Karan The Journal of Physical Chemistry C 122 (17), 9578-9585, 2018 | 18 | 2018 |
| Post-transition state dynamics and product energy partitioning following thermal excitation of the F⋯ HCH2CN transition state: Disagreement with experiment S Pratihar, X Ma, J Xie, R Scott, E Gao, B Ruscic, AJA Aquino, DW Setser, ... The Journal of Chemical Physics 147 (14), 2017 | 17 | 2017 |
| Single solvent molecules induce dual nucleophiles in gas-phase ion–molecule nucleophilic substitution reactions C Zhao, X Ma, X Wu, DL Thomsen, VM Bierbaum, J Xie The Journal of Physical Chemistry Letters 12 (30), 7134-7139, 2021 | 15 | 2021 |
| Direct dynamics simulations of the unimolecular dissociation of dioxetane: probing the non-RRKM dynamics S Malpathak, X Ma, WL Hase The Journal of Chemical Physics 148 (16), 2018 | 12 | 2018 |
| Effects of vibrational and rotational energies on the lifetime of the pre-reaction complex for the F−+ CH3I SN2 reaction X Ma, X Tan, WL Hase International Journal of Mass Spectrometry 429, 127-135, 2018 | 11 | 2018 |
| Anharmonic Densities of States for Vibrationally Excited I–(H2O), (H2O)2, and I–(H2O)2 X Ma, N Yang, MA Johnson, WL Hase Journal of Chemical Theory and Computation 14 (8), 3986-3997, 2018 | 9 | 2018 |
| PSO Method for Fitting Analytic Potential Energy Functions. Application to I–(H2O) HN Bhandari, X Ma, AK Paul, P Smith, WL Hase Journal of chemical theory and computation 14 (3), 1321-1332, 2018 | 9 | 2018 |
| Proton Dissociation and Delocalization under Stepwise Hydration of Zeolite HZSM-5 JH Hack, X Ma, Y Chen, JP Dombrowski, NHC Lewis, C Li, HH Kung, ... The Journal of Physical Chemistry C 127 (32), 16175-16186, 2023 | 8 | 2023 |
| An ab initio free energy study of the reaction mechanism and rate-limiting steps of CO2 capture by aqueous glycine X Ma, VS Bryantsev, S Roy Cell Reports Physical Science 4 (11), 2023 | 7 | 2023 |
| Interaction between γC87 and γR242 residues participates in energy coupling between catalysis and proton translocation in Escherichia coli ATP synthase Y Li, X Ma, J Weber Biochimica et Biophysica Acta (BBA)-Bioenergetics 1860 (8), 679-687, 2019 | 6 | 2019 |
Jing XieProfessor at Beijing Institute of TechnologyVerified email at bit.edu.cn
