| Exploring the impact of atomic lattice deformation on oxygen evolution reactions based on a sub-5 nm pure face-centred cubic high-entropy alloy electrocatalyst K Huang, B Zhang, J Wu, T Zhang, D Peng, X Cao, Z Zhang, Z Li, ... Journal of Materials Chemistry A 8 (24), 11938-11947, 2020 | 218 | 2020 |
| Psi4NumPy: An Interactive Quantum Chemistry Programming Environment for Reference Implementations and Rapid Development DGA Smith, LA Burns, DA Sirianni, DR Nascimento, A Kumar, AM James, ... Journal of chemical theory and computation 14 (7), 3504-3511, 2018 | 158 | 2018 |
| Confining Tiny MoO2 Clusters into Reduced Graphene Oxide for Highly Efficient Low Frequency Microwave Absorption C Wu, Z Chen, M Wang, X Cao, Y Zhang, P Song, T Zhang, X Ye, Y Yang, ... Small 16 (30), 2001686, 2020 | 151 | 2020 |
| A deterministic projector configuration interaction approach for the ground state of quantum many-body systems T Zhang, FA Evangelista Journal of Chemical Theory and Computation 12 (9), 4326-4337, 2016 | 53 | 2016 |
| Development of polyoxometalate-anchored 3D hybrid hydrogel for high-performance flexible pseudo-solid-state supercapacitor M Wang, Y Yu, M Cui, X Cao, W Liu, C Wu, X Liu, T Zhang, Y Huang Electrochimica Acta 329, 135181, 2020 | 38 | 2020 |
| Efficient Four-Component Dirac–Coulomb–Gaunt Hartree–Fock in the Pauli Spinor Representation S Sun, TF Stetina, T Zhang, H Hu, EF Valeev, Q Sun, X Li Journal of Chemical Theory and Computation 17 (6), 3388-3402, 2021 | 35 | 2021 |
| Confinement of single polyoxometalate clusters in molecular-scale cages for improved flexible solid-state supercapacitors M Wang, Y Zhang, T Zhang, Y Li, M Cui, X Cao, Y Lu, D Peng, W Liu, ... Nanoscale 12 (22), 11887-11898, 2020 | 34 | 2020 |
| Sub-nanopores-containing N, O-codoped porous carbon from molecular-scale networked polymer hydrogel for solid-state supercapacitor M Wang, T Zhang, M Cui, W Liu, X Liu, J Zhao, J Zhou Chinese Chemical Letters 32 (3), 1111-1116, 2021 | 31 | 2021 |
| Improving the efficiency of the multireference driven similarity renormalization group via sequential transformation, density fitting, and the noninteracting virtual orbital … T Zhang, C Li, FA Evangelista Journal of chemical theory and computation 15 (8), 4399-4414, 2019 | 25 | 2019 |
| Self-intercepting interference of hydrogen-bond induced flexible hybrid film to facilitate lithium extraction M Wang, T Zhang, Z Meng, C Wang, W Dong, J Liu, S Yang, X Hou, ... Chemical Engineering Journal 458, 141403, 2023 | 21 | 2023 |
| Supramolecular confinement pyrolysis to carbon-supported Mo nanostructures spanning four scales for hydroquinone determination W Cong, P Song, Y Zhang, S Yang, W Liu, T Zhang, J Zhou, M Wang, ... Journal of Hazardous Materials 437, 129327, 2022 | 17 | 2022 |
| Toward the minimal floating operation count Cholesky decomposition of electron repulsion integrals T Zhang, X Liu, EF Valeev, X Li The Journal of Physical Chemistry A 125 (19), 4258-4265, 2021 | 15 | 2021 |
| Strained ultralong silver nanowires for enhanced electrocatalytic oxygen reduction reaction in alkaline medium Z Wang, X Cao, D Peng, Y Lu, B Zhang, K Huang, T Zhang, J Wu, ... The Journal of Physical Chemistry Letters 12 (8), 2029-2035, 2021 | 13 | 2021 |
| Localized relativistic two-component methods for ground and excited state calculations T Zhang, JM Kasper, X Li Annual Reports in Computational Chemistry 16, 17-37, 2020 | 13 | 2020 |
| Scalar Breit interaction for molecular calculations S Sun, J Ehrman, T Zhang, Q Sun, KG Dyall, X Li The Journal of Chemical Physics 158 (17), 2023 | 12 | 2023 |
| Exploitation and utilization of template micelles: Novel absorbent–releaser of NO derived from as-synthesized mesoporous silica WG Lin, F Wei, Q Hou, TY Zhang, YK Wang, JH Zhu Microporous and mesoporous materials 156, 233-243, 2012 | 11 | 2012 |
| Relativistic Resolution-of-the-Identity with Cholesky Integral Decomposition S Banerjee, T Zhang, KG Dyall, X Li The Journal of Chemical Physics, 2023 | 6 | 2023 |
| Chemically anchoring molybdenum atoms onto micropore-rich VN nanosheet for boosted nitrogen electro-fixation via hydrogen bonds M Cui, T Zhang, M Wang, W Xu, Y Zhang, P Song, C Wang, Y Yang, ... Chemical Engineering Journal 446, 136915, 2022 | 6 | 2022 |
| Rational design of ultrahigh sensitive sunset yellow sensor based on 3D hierarchical porous graphitic carbon with sub-nanopores Y Gao, T Li, T Zhang, M Wang, L Gao, Z Yang, Z Yang Food Chemistry 365, 130631, 2021 | 6 | 2021 |
| Dirac–Coulomb–Breit Molecular Mean-Field Exact-Two-Component Relativistic Equation-of-Motion Coupled-Cluster Theory T Zhang, S Banerjee, LN Koulias, EF Valeev, AE DePrince III, X Li The Journal of Physical Chemistry A 128 (17), 3408-3418, 2024 | 5 | 2024 |
Xiaosong LiLarry R. Dalton Endowed Chair in Chemistry, University of Washington, Seattle, WAVerified email at uw.edu