| Efficient blue light emitting diodes based on europium halide perovskites J Luo, L Yang, Z Tan, W Xie, Q Sun, J Li, P Du, Q Xiao, L Wang, X Zhao, ... Advanced Materials 33 (38), 2101903, 2021 | 79 | 2021 |
| Assessing the performance of trajectory surface hopping methods: Ultrafast internal conversion in pyrazine W Xie, M Sapunar, N Došlić, M Sala, W Domcke The Journal of chemical physics 150 (15), 2019 | 61 | 2019 |
| Accuracy of trajectory surface-hopping methods: Test for a two-dimensional model of the photodissociation of phenol W Xie, W Domcke The Journal of Chemical Physics 147 (18), 2017 | 53 | 2017 |
| Explicit system-bath correlation calculated using the hierarchical equations of motion method L Zhu, H Liu, W Xie, Q Shi The Journal of Chemical Physics 137 (19), 2012 | 53 | 2012 |
| Calculation of electron transfer rates using mixed quantum classical approaches: Nonadiabatic limit and beyond W Xie, S Bai, L Zhu, Q Shi The Journal of Physical Chemistry A 117 (29), 6196-6204, 2013 | 44 | 2013 |
| Exploration of Nontoxic Cs3CeBr6 for Violet Light-Emitting Diodes L Wang, Q Guo, J Duan, W Xie, G Ji, S Li, C Chen, J Li, L Yang, Z Tan, ... ACS Energy Letters 6 (12), 4245-4254, 2021 | 39 | 2021 |
| Charge and exciton transfer simulations using machine-learned Hamiltonians M Krämer, PM Dohmen, W Xie, D Holub, AS Christensen, M Elstner Journal of chemical theory and computation 16 (7), 4061-4070, 2020 | 38 | 2020 |
| Designing Quinone‐Based Anodes with Rapid Kinetics for Rechargeable Proton Batteries X Yang, Y Ni, Y Lu, Q Zhang, J Hou, G Yang, X Liu, W Xie, Z Yan, Q Zhao, ... Angewandte Chemie International Edition 61 (39), e202209642, 2022 | 37 | 2022 |
| Multi-faceted spectroscopic mapping of ultrafast nonadiabatic dynamics near conical intersections: A computational study K Sun, W Xie, L Chen, W Domcke, MF Gelin The Journal of Chemical Physics 153 (17), 2020 | 35 | 2020 |
| Modulating 3d Orbitals of Ni Atoms on Ni‐Pt Edge Sites Enables Highly‐Efficient Alkaline Hydrogen Evolution M Zhou, H Li, A Long, B Zhou, F Lu, F Zhang, F Zhan, Z Zhang, W Xie, ... Advanced Energy Materials 11 (36), 2101789, 2021 | 32 | 2021 |
| Photoinduced electron-driven proton transfer from water to an N-heterocyclic chromophore: nonadiabatic dynamics studies for pyridine–water clusters X Pang, C Jiang, W Xie, W Domcke Physical Chemistry Chemical Physics 21 (26), 14073-14079, 2019 | 32 | 2019 |
| High-efficiency lithium-ion transport in a porous coordination chain-based hydrogen-bonded framework Z Han, R Zhang, J Jiang, Z Chen, Y Ni, W Xie, J Xu, Z Zhou, J Chen, ... Journal of the American Chemical Society 145 (18), 10149-10158, 2023 | 30 | 2023 |
| Performance of mixed quantum-classical approaches on modeling the crossover from hopping to bandlike charge transport in organic semiconductors W Xie, D Holub, T Kubař, M Elstner Journal of Chemical Theory and Computation 16 (4), 2071-2084, 2020 | 26 | 2020 |
| Ab initio surface-hopping simulation of femtosecond transient-absorption pump–probe signals of nonadiabatic excited-state dynamics using the doorway–window representation MF Gelin, X Huang, W Xie, L Chen, N Došlić, W Domcke Journal of Chemical Theory and Computation 17 (4), 2394-2408, 2021 | 22 | 2021 |
| Interplay of structural dynamics and electronic effects in an engineered assembly of pentacene in a metal–organic framework R Haldar, M Kozlowska, M Ganschow, S Ghosh, M Jakoby, H Chen, ... Chemical science 12 (12), 4477-4483, 2021 | 20 | 2021 |
| Revealing the role of d orbitals of transition-metal-doped titanium oxide on high-efficient oxygen reduction F Lu, W Xie, D Yi, Y Wang, F Zhang, Y Xu, B Zhou, S Liu, X Wang, J Yao CCS Chemistry 3 (11), 180-188, 2021 | 18 | 2021 |
| Photoinduced water oxidation in pyrimidine–water clusters: a combined experimental and theoretical study X Huang, JP Aranguren, J Ehrmaier, JA Noble, W Xie, AL Sobolewski, ... Physical Chemistry Chemical Physics 22 (22), 12502-12514, 2020 | 18 | 2020 |
| HAB79: A new molecular dataset for benchmarking DFT and DFTB electronic couplings against high-level ab initio calculations OG Ziogos, A Kubas, Z Futera, W Xie, M Elstner, J Blumberger The Journal of Chemical Physics 155 (23), 2021 | 17 | 2021 |
| Mixed quantum classical calculation of proton transfer reaction rates: From deep tunneling to over the barrier regimes W Xie, Y Xu, L Zhu, Q Shi The Journal of Chemical Physics 140 (17), 2014 | 17 | 2014 |
| A New Trajectory Branching Approximation To Propagate the Mixed Quantum-Classical Liouville Equation S Bai, W Xie, Q Shi The Journal of Physical Chemistry A 118 (39), 9262-9271, 2014 | 14 | 2014 |
Qiang ShiInstitute of Chemistry, Chinese Academy of SciencesBestätigte E-Mail-Adresse bei iccas.ac.cn
