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
274 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
144 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
124 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
122 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
103 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
85 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
79 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
62 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
62 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
62 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
55 2020 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 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 BERT-Kcr: prediction of lysine crotonylation sites by a transfer learning method with pre-trained BERT models Y Qiao, X Zhu, H Gong
Bioinformatics 38 (3), 648-654, 2022
49 2022 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