| Potential energy surfaces from high fidelity fitting of ab initio points: the permutation invariant polynomial - neural network approach B Jiang, J Li, H Guo International Reviews in Physical Chemistry 35 (3), 479-506, 2016 | 395 | 2016 |
| Permutation invariant polynomial neural network approach to fitting potential energy surfaces. II. Four-atom systems J Li, B Jiang, H Guo The Journal of chemical physics 139 (20), 2013 | 326 | 2013 |
| High-fidelity potential energy surfaces for gas-phase and gas–surface scattering processes from machine learning B Jiang, J Li, H Guo The Journal of Physical Chemistry Letters 11 (13), 5120-5131, 2020 | 172 | 2020 |
| Mode selectivity in methane dissociative chemisorption on Ni (111) B Jiang, R Liu, J Li, D Xie, M Yang, H Guo Chemical Science 4 (8), 3249-3254, 2013 | 124 | 2013 |
| Communication: A chemically accurate global potential energy surface for the HO+ CO→ H+ CO2 reaction J Li, Y Wang, B Jiang, J Ma, R Dawes, D Xie, JM Bowman, H Guo The Journal of Chemical Physics 136 (4), 2012 | 120 | 2012 |
| From ab Initio potential energy surfaces to state resolved reactivities: the X + H2O ↔ HX + OH (X=F, Cl, and O(3P)) reactions J Li, B Jiang, H Song, J Ma, B Zhao, R Dawes, H Guo The Journal of Physical Chemistry A 119, 4667-4687, 2015 | 105 | 2015 |
| Imaging dynamics on the F+ H2O→ HF+ OH potential energy surfaces from wells to barriers R Otto, J Ma, AW Ray, JS Daluz, J Li, H Guo, RE Continetti Science 343 (6169), 396-399, 2014 | 104 | 2014 |
| High-Level, First-Principles, Full-Dimensional Quantum Calculation of the Ro-vibrational Spectrum of the Simplest Criegee Intermediate (CH2OO) J Li, S Carter, JM Bowman, R Dawes, D Xie, H Guo The Journal of Physical Chemistry Letters 5 (13), 2364-2369, 2014 | 94 | 2014 |
| Mode Selectivity for a “Central” Barrier Reaction: Eight-Dimensional Quantum Studies of the O(3P) + CH4 → OH + CH3 Reaction on an Ab Initio Potential Energy … R Liu, M Yang, G Czakó, JM Bowman, J Li, H Guo The Journal of Physical Chemistry Letters 3 (24), 3776-3780, 2012 | 92 | 2012 |
| Rate coefficients and kinetic isotope effects of the X+ CH4→ CH3+ HX (X= H, D, Mu) reactions from ring polymer molecular dynamics Y Li, YV Suleimanov, J Li, WH Green, H Guo The Journal of Chemical Physics 138 (9), 2013 | 85 | 2013 |
| Reactant Vibrational Excitations Are More Effective than Translational Energy in Promoting an Early-Barrier Reaction F + H2O → HF + OH J Li, B Jiang, H Guo Journal of the American Chemical Society 135 (3), 982-985, 2013 | 84 | 2013 |
| Feshbach resonances in the exit channel of the F + CH3OH → HF + CH3O reaction observed using transition-state spectroscopy ML Weichman, JA DeVine, MC Babin, J Li, L Guo, J Ma, H Guo, ... Nature chemistry 9 (10), 950-955, 2017 | 81 | 2017 |
| An ab initio based full-dimensional global potential energy surface for FH2O (X2A′) and dynamics for the F+ H2O→ HF+ HO reaction J Li, R Dawes, H Guo The Journal of Chemical Physics 137 (9), 2012 | 80 | 2012 |
| A permutationally invariant full-dimensional ab initio potential energy surface for the abstraction and exchange channels of the H+CH4 system J Li, J Chen, Z Zhao, D Xie, DH Zhang, H Guo Journal of Chemical Physics 142, 204302, 2015 | 79 | 2015 |
| Explicitly correlated MRCI-F12 potential energy surfaces for methane fit with several permutation invariant schemes and full-dimensional vibrational calculations M Majumder, SE Hegger, R Dawes, S Manzhos, XG Wang, C Tucker Jr, ... Molecular Physics 113 (13-14), 1823-1833, 2015 | 73 | 2015 |
| Communication: An accurate full 15 dimensional permutationally invariant potential energy surface for the OH+ CH4→ H2O+ CH3 reaction J Li, H Guo The Journal of Chemical Physics 143 (22), 2015 | 72 | 2015 |
| Advances and new challenges to bimolecular reaction dynamics theory J Li, B Zhao, D Xie, H Guo The Journal of Physical Chemistry Letters 11 (20), 8844-8860, 2020 | 71 | 2020 |
| Quantum and quasi-classical dynamics of the OH+ CO→ H+ CO2 reaction on a new permutationally invariant neural network potential energy surface J Li, J Chen, DH Zhang, H Guo The Journal of Chemical Physics 140 (4), 2014 | 71 | 2014 |
| Energy-saving reduced-pressure extractive distillation with heat integration for separating the biazeotropic ternary mixture tetrahydrofuran–methanol–water J Gu, X You, C Tao, J Li, V Gerbaud Industrial & Engineering Chemistry Research 57 (40), 13498-13510, 2018 | 64 | 2018 |
| Permutation invariant potential energy surfaces for polyatomic reactions using atomistic neural networks B Kolb, B Zhao, J Li, B Jiang, H Guo The Journal of Chemical Physics 144 (22), 2016 | 61 | 2016 |
Hua GuoDistinguished Professor of Chemistry, University of New MexicoVerified email at unm.edu
