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The Journal of Physical Chemistry Letters|May 7, 2019
Insights into Direct Methods for Predictions of Ionization Potential and Electron Affinity in Density Functional TheoryNeil Qiang Su, Xin XuZhonghua Nan Ke Xue = National Journal of Andrology|October 17, 2023
[Levels of tPSA and fPSA and count of peripheral blood neutrophils in the diagnosis of prostate cancer]Sheng-Qiang Zhang, Qiang SuAnnual Review of Physical Chemistry|February 23, 2017
Development of New Density Functional ApproximationsNeil Qiang Su, Xin XuChemical Communications (Cambridge, England)|October 7, 2016
Beyond energies: geometry predictions with the XYG3 type of doubly hybrid density functionalsNeil Qiang Su, Xin XuJournal of Chemical Theory and Computation|February 2, 2026
Multi-Objective Optimization of Approximate Functionals via Implicit Interdependency ModelingZiying Yuan, Neil Qiang SuThe Journal of Chemical Physics|May 17, 2014
Construction of a parameter-free doubly hybrid density functional from adiabatic connectionNeil Qiang Su, Xin XuThe Journal of Physical Chemistry Letters|March 10, 2025
From Single Atoms to Clusters: Unraveling the Structural Evolution of Pt/CeO2 for Enhanced CO OxidationHan Zhou, Neil Qiang SuThe Journal of Chemical Physics|July 9, 2021
Perturbation theory made efficient and effective for predictions of ionization potential and electron affinityNeil Qiang Su, Xin XuThe Journal of Physical Chemistry Letters|October 30, 2023
Targeted Spin-State Regulation to Boost Oxygen Reduction ReactionXiuli Hu, Neil Qiang SuLight, Science & Applications|August 19, 2025
Electrically pumped surface-emitting amplified spontaneous emission from colloidal quantum dotsFengshou Tian, Tianhong Zhou, Xuanyu Zhang, et al.Pageof 94