| Hydroxide diffuses slower than hydronium in water because its solvated structure inhibits correlated proton transfer M Chen, L Zheng, B Santra, HY Ko, RA DiStasio Jr, ML Klein, R Car, X Wu Nature Chemistry, 1, 2018 | 209 | 2018 |
| Structural, electronic, and dynamical properties of liquid water by ab initio molecular dynamics based on SCAN functional within the canonical ensemble L Zheng, M Chen, Z Sun, HY Ko, B Santra, P Dhuvad, X Wu The Journal of Chemical Physics 148 (16), 164505, 2018 | 78 | 2018 |
| Electron-hole theory of the effect of quantum nuclei on the x-ray absorption spectra of liquid water Z Sun, L Zheng, M Chen, ML Klein, F Paesani, X Wu Physical review letters 121 (13), 137401, 2018 | 52 | 2018 |
| X-ray absorption of liquid water by advanced ab initio methods Z Sun, M Chen, L Zheng, J Wang, B Santra, H Shen, L Xu, W Kang, ... Physical Review B 96 (10), 104202, 2017 | 19 | 2017 |
| Solvated Hydroxide and Hydronium in Water Studied by ab initio Molecular Dynamics Based on PBE0 Hybrid Functional with van der Waals Interation L Zheng, C Swartz, X Wu APS March Meeting Abstracts, 2014 | 1 | 2014 |
| Bridging X-ray absorption spectra and nuclear quantum effects in the hydrogen bond network of liquid water Z Sun, L Zheng, M Chen, M Klein, X Wu, F Paesani ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 256, 2018 | | 2018 |
| X-ray Absorption Spectral Signature of Quantum Nuclei in Liquid Water Z Sun, L Zheng, M Chen, ML Klein, F Paesani, X Wu ChemRxiv, 2018 | | 2018 |
| Why does hydronium diffuse faster than hydroxide in liquid water? M Chen, L Zheng, B Santra, HY Ko, RA DiStasio Jr, ML Klein, R Car, X Wu arXiv preprint arXiv:1801.07841, 2018 | | 2018 |
| Properties of Liquid Water and Solvated Ions Based on First Principles Calculations L Zheng Temple University, 2018 | | 2018 |
| Nuclear quantum effect on hydrogen bond network fluctuation in liquid water inferred by X-ray absorption spectra Z Sun, L Zheng, M Chen, F Paesani, X Wu APS Meeting Abstracts, 2018 | | 2018 |
| The Molecular Structural and Electronic Properties of Liquid Water by ab initio Molecular Dynamics Simulation Based on SCAN Density Functional L Zheng, Z Sun, X Wu APS Meeting Abstracts, 2017 | | 2017 |
| Why does hydronium diffuse much faster than hydroxide in liquid water? M Chen, L Zheng, B Santra, HY Ho, R DiStasio Jr, M Klein, R Car, X Wu APS Meeting Abstracts, 2017 | | 2017 |
| Structural dynamics of solvated OH and HO in liquid water: an \textit{ab initio} molecular dynamics study using PBE0 hybrid functional with van der Waals … L Zheng, X Wu Bulletin of the American Physical Society 60, 2015 | | 2015 |
