| Mechanochemical unzipping of insulating polyladderene to semiconducting polyacetylene Z Chen, JAM Mercer, X Zhu, JAH Romaniuk, R Pfattner, L Cegelski, ... Science 357 (6350), 475-479, 2017 | 269 | 2017 |
| Imaging CF3I conical intersection and photodissociation dynamics with ultrafast electron diffraction J Yang, X Zhu, TJA Wolf, Z Li, JPF Nunes, R Coffee, JP Cryan, M Gühr, ... Science 361 (6397), 64-67, 2018 | 219 | 2018 |
| Nonadiabatic tunneling in photodissociation of phenol C Xie, J Ma, X Zhu, DR Yarkony, D Xie, H Guo Journal of the American Chemical Society 138 (25), 7828-7831, 2016 | 143 | 2016 |
| Simultaneous observation of nuclear and electronic dynamics by ultrafast electron diffraction J Yang, X Zhu, JP F. Nunes, JK Yu, RM Parrish, TJA Wolf, M Centurion, ... Science 368 (6493), 885-889, 2020 | 123 | 2020 |
| Multicolor mechanochromism of a polymer/silica composite with dual distinct mechanophores T Kosuge, X Zhu, VM Lau, D Aoki, TJ Martinez, JS Moore, H Otsuka Journal of the American Chemical Society 141 (5), 1898-1902, 2019 | 121 | 2019 |
| Fitting coupled potential energy surfaces for large systems: Method and construction of a 3-state representation for phenol photodissociation in the full 33 internal degrees of … X Zhu, DR Yarkony The Journal of Chemical Physics 140 (2), 2014 | 102 | 2014 |
| The cascade unzipping of ladderane reveals dynamic effects in mechanochemistry Z Chen, X Zhu, J Yang, JAM Mercer, NZ Burns, TJ Martinez, Y Xia Nature Chemistry 12 (3), 302-309, 2020 | 84 | 2020 |
| Disentangling conical intersection and coherent molecular dynamics in methyl bromide with attosecond transient absorption spectroscopy H Timmers, X Zhu, Z Li, Y Kobayashi, M Sabbar, M Hollstein, M Reduzzi, ... Nature communications 10 (1), 3133, 2019 | 81 | 2019 |
| Toward eliminating the electronic structure bottleneck in nonadiabatic dynamics on the fly: An algorithm to fit nonlocal, quasidiabatic, coupled electronic state Hamiltonians … X Zhu, DR Yarkony The Journal of chemical physics 132 (10), 2010 | 78 | 2010 |
| Permutation invariant polynomial neural network approach to fitting potential energy surfaces. IV. Coupled diabatic potential energy matrices C Xie, X Zhu, DR Yarkony, H Guo The Journal of chemical physics 149 (14), 2018 | 67 | 2018 |
| Geodesic interpolation for reaction pathways X Zhu, KC Thompson, TJ Martínez The Journal of Chemical Physics 150 (16), 2019 | 61 | 2019 |
| Quasi-diabatic representations of adiabatic potential energy surfaces coupled by conical intersections including bond breaking: A more general construction procedure and an … X Zhu, DR Yarkony The Journal of Chemical Physics 137 (22), 2012 | 61 | 2012 |
| On the representation of coupled adiabatic potential energy surfaces using quasi-diabatic Hamiltonians: A distributed origins expansion approach X Zhu, DR Yarkony The Journal of Chemical Physics 136 (17), 2012 | 61 | 2012 |
| Computational determination of the à state absorption spectrum of NH3 and of ND3 using a new quasi-diabatic representation of the $\skew3\tilde {X} $ X̃ and à states and full … X Zhu, JY Ma, DR Yarkony, H Guo The Journal of Chemical Physics 136 (23), 2012 | 55 | 2012 |
| Intermolecular vibrations mediate ultrafast singlet fission HG Duan, A Jha, X Li, V Tiwari, H Ye, PK Nayak, XL Zhu, Z Li, TJ Martinez, ... Science advances 6 (38), eabb0052, 2020 | 54 | 2020 |
| Full-Dimensional Quantum State-to-State Nonadiabatic Dynamics for Photodissociation of Ammonia in its A-Band C Xie, J Ma, X Zhu, DH Zhang, DR Yarkony, D Xie, H Guo The Journal of Physical Chemistry Letters 5 (7), 1055-1060, 2014 | 54 | 2014 |
| First principles determination of the NH2/ND2() branching ratios for photodissociation of NH3/ND3 via full-dimensional quantum dynamics based on a new quasi … J Ma, X Zhu, H Guo, DR Yarkony The Journal of Chemical Physics 137 (22), 22A541, 2012 | 53 | 2012 |
| Non-adiabaticity: the importance of conical intersections X Zhu, DR Yarkony Molecular Physics 114 (13), 1983-2013, 2016 | 50 | 2016 |
| A comprehensive comparison and analysis of computational predictors for RNA N6-methyladenosine sites of Saccharomyces cerevisiae X Zhu, J He, S Zhao, W Tao, Y Xiong, S Bi Briefings in Functional Genomics 18 (6), 367-376, 2019 | 48 | 2019 |
| On the elimination of the electronic structure bottleneck in on the fly nonadiabatic dynamics for small to moderate sized (10-15 atom) molecules using fit diabatic … X Zhu, DR Yarkony The Journal of Chemical Physics 144 (2), 2016 | 47 | 2016 |
Hua GuoDistinguished Professor of Chemistry, University of New MexicoVerified email at unm.edu
