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Neil Qiang Su (苏乃强)
Neil Qiang Su (苏乃强)
Verified email at nankai.edu.cn
Title
Cited by
Cited by
Year
Product selectivity in plasmonic photocatalysis for carbon dioxide hydrogenation
X Zhang, X Li, D Zhang, NQ Su, W Yang, HO Everitt, J Liu
Nature communications 8 (1), 14542, 2017
4152017
Plasmon-enhanced catalysis: distinguishing thermal and nonthermal effects
X Zhang, X Li, ME Reish, D Zhang, NQ Su, Y Gutiérrez, F Moreno, ...
Nano letters 18 (3), 1714-1723, 2018
2732018
Benchmarking density functionals on structural parameters of small-/medium-sized organic molecules
É Brémond, M Savarese, NQ Su, ÁJ Pérez-Jiménez, X Xu, ...
Journal of chemical theory and computation 12 (2), 459-465, 2016
1872016
Localized orbital scaling correction for systematic elimination of delocalization error in density functional approximations
C Li, X Zheng, NQ Su, W Yang
National Science Review 5 (2), 203-215, 2018
1422018
Doubly hybrid density functional xDH-PBE0 from a parameter-free global hybrid model PBE0
IY Zhang, NQ Su, ÉAG Brémond, C Adamo, X Xu
The Journal of chemical physics 136 (17), 2012
1202012
Development of new density functional approximations
NQ Su, X Xu
Annual Review of Physical Chemistry 68, 155-182, 2017
742017
Describing strong correlation with fractional-spin correction in density functional theory
NQ Su, C Li, W Yang
Proceedings of the National Academy of Sciences 115 (39), 9678-9683, 2018
692018
Construction of a parameter-free doubly hybrid density functional from adiabatic connection
NQ Su, X Xu
The Journal of Chemical Physics 140 (18), 2014
652014
The XYG3 type of doubly hybrid density functionals
NQ Su, X Xu
Wiley Interdisciplinary Reviews: Computational Molecular Science 6 (6), 721-747, 2016
592016
Fractional charge behavior and band gap predictions with the XYG3 type of doubly hybrid density functionals
NQ Su, W Yang, P Mori-Sanchez, X Xu
The Journal of Physical Chemistry A 118 (39), 9201-9211, 2014
522014
Beyond mean-field microkinetics: toward accurate and efficient theoretical modeling in heterogeneous catalysis
Z Chen, H Wang, NQ Su, S Duan, T Shen, X Xu
ACS Catalysis 8 (7), 5816-5826, 2018
512018
Doubly hybrid density functionals that correctly describe both density and energy for atoms
NQ Su, Z Zhu, X Xu
Proceedings of the National Academy of Sciences 115 (10), 2287-2292, 2018
482018
Describing chemical reactivity with frontier molecular orbitalets
J Yu, NQ Su, W Yang
JACS Au 2 (6), 1383-1394, 2022
372022
Preserving symmetry and degeneracy in the localized orbital scaling correction approach
NQ Su, A Mahler, W Yang
The journal of physical chemistry letters 11 (4), 1528-1535, 2020
372020
Approximating quasiparticle and excitation energies from ground state generalized Kohn–Sham calculations
Y Mei, C Li, NQ Su, W Yang
The Journal of Physical Chemistry A 123 (3), 666-673, 2018
352018
A comparison of geometric parameters from PBE-based doubly hybrid density functionals PBE0-DH, PBE0-2, and xDH-PBE0
NQ Su, C Adamo, X Xu
The Journal of Chemical Physics 139 (17), 2013
352013
Application of topological quantum chemistry in electrides
S Nie, Y Qian, J Gao, Z Fang, H Weng, Z Wang
Physical Review B 103 (20), 205133, 2021
332021
Analytic derivatives for the XYG3 type of doubly hybrid density functionals: Theory, implementation, and assessment
NQ Su, IY Zhang, X Xu
Journal of Computational Chemistry 34 (20), 1759-1774, 2013
302013
Calculations of ionization energies and electron affinities for atoms and molecules: A comparative study with different methods
NQ Su, IY Zhang, J Wu, X Xu
Frontiers of Chemistry in China 6, 269-279, 2011
282011
Generalized optimized effective potential for orbital functionals and self-consistent calculation of random phase approximations
Y Jin, D Zhang, Z Chen, NQ Su, W Yang
The journal of physical chemistry letters 8 (19), 4746-4751, 2017
272017
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