| Year |
Citation |
Score |
| 2023 |
Cai J, Zhao Q, Hsu WY, Choi C, Liu Y, Martirez JMP, Chen C, Huang J, Carter EA, Huang Y. Highly Selective Electrochemical Reduction of CO into Methane on Nanotwinned Cu. Journal of the American Chemical Society. PMID 37070601 DOI: 10.1021/jacs.3c00847 |
0.372 |
|
| 2022 |
Zhao Q, Martirez JMP, Carter EA. Charting C-C coupling pathways in electrochemical CO reduction on Cu(111) using embedded correlated wavefunction theory. Proceedings of the National Academy of Sciences of the United States of America. 119: e2202931119. PMID 36306330 DOI: 10.1073/pnas.2202931119 |
0.437 |
|
| 2022 |
Zhao Q, Martirez JMP, Carter EA. Electrochemical Hydrogenation of CO on Cu(100): Insights from Accurate Multiconfigurational Wavefunction Methods. The Journal of Physical Chemistry Letters. 13: 10282-10290. PMID 36305601 DOI: 10.1021/acs.jpclett.2c02444 |
0.399 |
|
| 2021 |
Zhao Q, Martirez JMP, Carter EA. Revisiting Understanding of Electrochemical CO Reduction on Cu(111): Competing Proton-Coupled Electron Transfer Reaction Mechanisms Revealed by Embedded Correlated Wavefunction Theory. Journal of the American Chemical Society. PMID 33851840 DOI: 10.1021/jacs.1c00880 |
0.442 |
|
| 2020 |
Zhao Q, Zhang X, Martirez JMP, Carter EA. Benchmarking an Embedded Adaptive Sampling Configuration Interaction Method for Surface Reactions: H Desorption from and CH Dissociation on Cu(111). Journal of Chemical Theory and Computation. PMID 33079552 DOI: 10.1021/acs.jctc.0c00341 |
0.427 |
|
| 2020 |
Zhao Q, Carter EA. Revisiting competing paths in electrochemical CO2 reduction on copper via embedded correlated wavefunction theory. Journal of Chemical Theory and Computation. PMID 32816491 DOI: 10.1021/Acs.Jctc.0C00583 |
0.495 |
|
| 2019 |
Zhao Q, Kulik HJ. Stable Surfaces that Bind too Tightly: Can Range Separated Hybrids or DFT+U Improve Paradoxical Descriptions of Surface Chemistry? The Journal of Physical Chemistry Letters. PMID 31411023 DOI: 10.1021/Acs.Jpclett.9B01650 |
0.607 |
|
| 2018 |
Zhao Q, Kulik HJ. Where Does the Density Localize in the Solid State? Divergent Behavior for Hybrids and DFT+U. Journal of Chemical Theory and Computation. PMID 29298057 DOI: 10.1021/Acs.Jctc.7B01061 |
0.587 |
|
| 2018 |
Zhao Q, Kulik HJ. Electronic Structure Origins of Surface-Dependent Growth in III–V Quantum Dots Chemistry of Materials. 30: 7154-7165. DOI: 10.1021/Acs.Chemmater.8B03125 |
0.583 |
|
| 2016 |
Zhao Q, Ioannidis EI, Kulik HJ. Global and local curvature in density functional theory. The Journal of Chemical Physics. 145: 054109. PMID 27497541 DOI: 10.1063/1.4959882 |
0.698 |
|
| 2016 |
Janet JP, Zhao Q, Ioannidis EI, Kulik HJ. Density functional theory for modelling large molecular adsorbate–surface interactions: a mini-review and worked example Molecular Simulation. 43: 327-345. DOI: 10.1080/08927022.2016.1258465 |
0.687 |
|
| 2016 |
Zhao Q, Ng SSH, Kulik HJ. Predicting the stability of fullerene allotropes throughout the periodic table Journal of Physical Chemistry C. 120: 17035-17045. DOI: 10.1021/Acs.Jpcc.6B04361 |
0.548 |
|
| 2016 |
Xie L, Zhao Q, Jensen KF, Kulik HJ. Direct Observation of Early-Stage Quantum Dot Growth Mechanisms with High-Temperature Ab Initio Molecular Dynamics Journal of Physical Chemistry C. 120: 2472-2483. DOI: 10.1021/Acs.Jpcc.5B12091 |
0.664 |
|
| 2015 |
Lin Z, Zhao Q, Xing L, Zhou B, Wang X. Aggregating tags for column-free protein purification. Biotechnology Journal. PMID 26556016 DOI: 10.1002/biot.201500299 |
0.369 |
|
| 2015 |
Zhao Q, Xie L, Kulik HJ. Discovering Amorphous Indium Phosphide Nanostructures with High-Temperature ab Initio Molecular Dynamics Journal of Physical Chemistry C. 119: 23238-23249. DOI: 10.1021/Acs.Jpcc.5B07264 |
0.664 |
|
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