| Dynamical importance of van der Waals saddle and excited potential surface in C(1D)+D2 complex-forming reaction Z Shen, H Ma, C Zhang, M Fu, Y Wu, W Bian, J Cao Nature Communications 8 (1), 14094, 2017 | 45 | 2017 |
| Double proton transfer in the dimer of formic acid: An efficient quantum mechanical scheme H Liu, J Cao, W Bian Frontiers in Chemistry 7, 676, 2019 | 40 | 2019 |
| Quasiclassical trajectory study of H+ SiH4 reactions in full-dimensionality reveals atomic-level mechanisms J Cao, Z Zhang, C Zhang, K Liu, M Wang, W Bian Proceedings of the National Academy of Sciences 106 (32), 13180-13185, 2009 | 38 | 2009 |
| Conical intersection–regulated intermediates in bimolecular reactions: Insights from C(1D) + HD dynamics Y Wu, J Cao, H Ma, C Zhang, W Bian, D Nunez-Reyes, KM Hickson Science Advances 5 (4), eaaw0446, 2019 | 36 | 2019 |
| Extensive theoretical study on electronically excited states of calcium monochloride: Molecular laser cooling and production of ultracold chlorine atoms M Fu, H Ma, J Cao, W Bian The Journal of Chemical Physics 144 (18), 2016 | 29 | 2016 |
| Quantum mechanical differential and integral cross sections for the C (1D)+ H2 (ν= 0, j= 0)→ CH (ν′, j′)+ H reaction Z Shen, J Cao, W Bian The Journal of Chemical Physics 142 (16), 2015 | 28 | 2015 |
| Laser cooling of CaBr molecules and production of ultracold Br atoms: A theoretical study including spin–orbit coupling M Fu, H Ma, J Cao, W Bian The Journal of Chemical Physics 146 (13), 2017 | 24 | 2017 |
| van der Waals interactions in bimolecular reactions J Cao, F Li, W Xia, W Bian Chinese Journal of Chemical Physics 32 (2), 157-166, 2019 | 20 | 2019 |
| Quasiclassical Trajectory Study of the C(1D) + H2 → CH + H Reaction on a New Global ab Initio Potential Energy Surface Y Wu, C Zhang, J Cao, W Bian The Journal of Physical Chemistry A 118 (24), 4235-4242, 2014 | 19 | 2014 |
| Laser cooling of copper monofluoride: a theoretical study including spin–orbit coupling M Fu, J Cao, H Ma, W Bian RSC advances 6 (102), 100568-100576, 2016 | 14 | 2016 |
| Quasiclassical trajectory study of the C (1 D)+ HD reaction C Zhang, Y Zheng, J Cao, W Bian RSC advances 7 (55), 34348-34355, 2017 | 13 | 2017 |
| Dynamics and kinetics of the Si (1 D)+ H 2/D 2 reactions on a new global ab initio potential energy surface J Cao, Y Wu, H Ma, Z Shen, W Bian Physical Chemistry Chemical Physics 23 (10), 6141-6153, 2021 | 12 | 2021 |
| Kinetic study on the H+ SiH4 abstraction reaction using an ab initio potential energy surface J Cao, Z Zhang, C Zhang, W Bian, Y Guo The Journal of Chemical Physics 134 (2), 2011 | 12 | 2011 |
| Quantum Dynamics Study of the C(1D) + HD Reaction on the ã1A′ and b̃1A″ Potential Energy Surfaces Y Wu, J Cao, W Bian The Journal of Physical Chemistry A 124 (5), 801-809, 2020 | 11 | 2020 |
| Efficient Quantum Mechanical Calculations of Mode-Specific Tunneling Splittings upon Fundamental Excitation in the Dimer of Formic Acid H Liu, J Cao, W Bian The Journal of Physical Chemistry A 124 (32), 6536-6543, 2020 | 8 | 2020 |
| A theoretical study on laser cooling feasibility of XH (X= As, Sb and Bi): effects of intersystem crossings and spin–orbit couplings D Li, J Cao, H Ma, W Bian Physical Chemistry Chemical Physics 24 (17), 10114-10123, 2022 | 7 | 2022 |
| Accurate quantum mechanical calculations on deuterated vinylidene isomerization J Luo, J Cao, H Liu, W Bian The Journal of Chemical Physics 153 (5), 2020 | 6 | 2020 |
| An Ab Initio Neural Network Potential Energy Surface for the Dimer of Formic Acid and Further Quantum Tunneling Dynamics F Li, X Yang, X Liu, J Cao, W Bian ACS omega 8 (19), 17296-17303, 2023 | 5 | 2023 |
| Accurate quantum dynamics of the simplest isomerization system involving double-H transfer J Luo, J Cao, H Liu, W Bian Chinese Journal of Chemical Physics 35 (1), 185-192, 2022 | 5 | 2022 |
| Theoretical Study on Mechanism and Kinetics of Reaction of O(3P) with Propane F Jing, J Cao, X Liu, Y Hu, H Ma, W Bian Chinese Journal of Chemical Physics 29 (4), 430-436, 2016 | 5 | 2016 |
