Follow
Xiao Wang
Title
Cited by
Cited by
Year
Psi4 1.1: An Open-Source Electronic Structure Program Emphasizing Automation, Advanced Libraries, and Interoperability
Journal of Chemical Theory and Computation, 2017
11512017
Recent developments in the PySCF program package
Q Sun, X Zhang, S Banerjee, P Bao, M Barbry, NS Blunt, NA Bogdanov, ...
Journal of Chemical Physics 153, 024109, 2020
5592020
Photo-induced water–oil separation based on switchable superhydrophobicity–superhydrophilicity and underwater superoleophobicity of the aligned ZnO nanorod array-coated mesh films
D Tian, X Zhang, Y Tian, Y Wu, X Wang, J Zhai, L Jiang
Journal of Materials Chemistry 22 (37), 19652-19657, 2012
3752012
Micro/nanoscale hierarchical structured ZnO mesh film for separation of water and oil
D Tian, X Zhang, X Wang, J Zhai, L Jiang
Physical Chemistry Chemical Physics 13 (32), 14606-14610, 2011
2142011
Electrolyte Chemistry Enables Simultaneous Stabilization of Potassium Metal and Alloying Anode for Potassium‐Ion Batteries
H Wang, D Yu, X Wang, Z Niu, M Chen, L Cheng, W Zhou, L Guo
Angewandte Chemie International Edition, 2019
1692019
Excitons in solids from periodic equation-of-motion coupled-cluster theory
X Wang, TC Berkelbach
Journal of Chemical Theory and Computation, 2020
632020
Why does Togni’s reagent I exist in the high-energy hypervalent iodine form? Re-evaluation of benziodoxole based hypervalent iodine reagents
TY Sun, X Wang, H Geng, Y Xie, YD Wu, X Zhang, HF Schaefer
Chemical Communication, 2016
602016
Functionalized gold nanoparticles as nanosensor for sensitive and selective detection of silver ions and silver nanoparticles by surface-enhanced Raman scattering
E Tan, P Yin, X Lang, X Wang, T You, L Guo
Analyst 137 (17), 3925-3928, 2012
592012
A Twist of the Twist Mechanism, 2-Iodoxybenzoic Acid (IBX)-Mediated Oxidation of Alcohol Revisited: Theory and Experiment
H Jiang, TY Sun, X Wang, Y Xie, X Zhang, YD Wu, HF Schaefer
Organic Letters, 2017
422017
Renewable-lawsone-based sustainable and high-voltage aqueous flow battery
P Hu, H Lan, X Wang, Y Yang, X Liu, H Wang, L Guo
Energy Storage Materials, 2019
322019
Massively Parallel Quantum Chemistry: A high-performance research platform for electronic structure
C Peng, CA Lewis, X Wang, MC Clement, K Pierce, V Rishi, F Pavošević, ...
Journal of Chemical Physics 153 (4), 044120, 2020
292020
Efficient Evaluation of Exact Exchange for Periodic Systems via Concentric Atomic Density Fitting
X Wang, CA Lewis, EF Valeev
Journal of Chemical Physics 153, 124116, 2020
152020
Spin-Adapted Formulation and Implementation of Density Cumulant Functional Theory with Density-Fitting Approximation: Application to Transition Metal Compounds
X Wang, AY Sokolov, JM Turney, HF Schaefer
Journal of Chemical Theory and Computation, 2016
142016
Absorption Spectra of Solids from Periodic Equation-of-Motion Coupled-Cluster Theory
X Wang, TC Berkelbach
Journal of Chemical Theory and Computation 17 (10), 6387, 2021
132021
Twisted Triplet Ethylene: Anharmonic Frequencies and Spectroscopic Parameters for C2H4, C2D4, and 13C2H4
X Wang, WE Turner, J Agarwal, HF Schaefer III
The Journal of Physical Chemistry A 118 (35), 7560-7567, 2014
122014
Revisiting the Effect of f-Functions in Predicting the Right Reaction Mechanism for Hypervalent Iodine Reagents
TY Sun, K Chen, H Zhou, T You, P Yin, X Wang
Journal of Computational Chemistry 42, 470, 2021
112021
Radicals derived from acetaldehyde and vinyl alcohol
ML Estep, WJ Morgan, AT Winkles, AS Abbott, N Villegas-Escobar, ...
Physical Chemistry Chemical Physics 19 (40), 27275-27287, 2017
72017
Interfacial electric fields catalyze Ullmann coupling reactions on gold surfaces
I Stone, R Starr, N Hoffmann, X Wang, A Evans, C Nuckolls, T Lambert, ...
Chemical Science 13, 10798, 2022
62022
Linear Free Energy Relationships in Electrostatic Catalysis
NM Hoffmann, X Wang, TC Berkelbach
ACS Catalysis 12, 8237–8241, 2022
52022
Robust Pipek-Mezey Orbital Localization in Periodic Solids
MC Clement, X Wang, EF Valeev
Journal of Chemical Theory and Computation 17 (12), 7406–7415, 2021
52021
The system can't perform the operation now. Try again later.
Articles 1–20