E-LIB Suche - Ergebnisse für: Su, Neil Qiang

1

Progress toward a formal functional theory of strongly corr..:

Zhang, Ting ; Su, Neil Qiang
Physical Review A. 108 (2023) 5 - p. , 2023

Link: https://doi.org/10.1103/..

2

Metallated Graphynes as Efficient Single-Atom Electrocataly..:

Hu, Xiuli ; Su, Neil Qiang ; Fang, Wei-Hai
The Journal of Physical Chemistry C. 127 (2023) 23 - p. 11026-11039 , 2023

Link: https://doi.org/10.1021/..

3

Targeted Spin-State Regulation to Boost Oxygen Reduction Re..:

Hu, Xiuli ; Su, Neil Qiang
The Journal of Physical Chemistry Letters. 14 (2023) 44 - p. 9872-9882 , 2023

Link: https://doi.org/10.1021/..

4

The Role of Self-Catalysis Induced by Co Doping in Nonaqueo..:

Xiong, Lixin ; Su, Neil Qiang ; Fang, Wei-Hai
The Journal of Physical Chemistry Letters. 14 (2023) 33 - p. 7526-7540 , 2023

Link: https://doi.org/10.1021/..

5

Computational Insight into Metallated Graphynes as Single A..:

Hu, Xiuli ; Xiong, Lixin ; Fang, Wei-Hai.
ACS Applied Materials & Interfaces. , 2022

Link: https://doi.org/10.1021/..

6

Revealing intrinsic spin coupling in transition metal-doped..:

Zhou, Han ; Hu, Xiuli ; Fang, Wei-Hai.
Physical Chemistry Chemical Physics. 24 (2022) 26 - p. 16300-16309 , 2022

Link: https://doi.org/10.1039/..

7

Explicit-by-Implicit Treatment of Natural Orbital Occupatio..:

Yao, Yi-Fan ; Zhang, Zhang ; Fang, Wei-Hai.
The Journal of Physical Chemistry A. 126 (2022) 33 - p. 5654-5662 , 2022

Link: https://doi.org/10.1021/..

8

Combining localized orbital scaling correction and Bethe–Sa..:

Li, Jiachen ; Jin, Ye ; Su, Neil Qiang.
The Journal of Chemical Physics. 156 (2022) 15 - p. , 2022

Link: https://doi.org/10.1063/..

9

Functional-Based Description of Electronic Dynamic and Stro..:

Ai, Wenna ; Fang, Wei-Hai ; Su, Neil Qiang
The Journal of Physical Chemistry Letters. 13 (2022) 7 - p. 1744-1751 , 2022

Link: https://doi.org/10.1021/..

10

Describing Chemical Reactivity with Frontier Molecular Orbi..:

Yu, Jincheng ; Su, Neil Qiang ; Yang, Weitao
JACS Au. 2 (2022) 6 - p. 1383-1394 , 2022

Link: https://doi.org/10.1021/..

11

LibSC: Library for Scaling Correction Methods in Density Fu..:

Mei, Yuncai ; Yu, Jincheng ; Chen, Zehua..
Journal of Chemical Theory and Computation. 18 (2022) 2 - p. 840-850 , 2022

Link: https://doi.org/10.1021/..

12

Unity of Kohn-Sham density-functional theory and reduced-de..:

Su, Neil Qiang
Physical Review A. 104 (2021) 5 - p. , 2021

Link: https://doi.org/10.1103/..

13

Perturbation theory made efficient and effective for predic..:

Su, Neil Qiang ; Xu, Xin
The Journal of Chemical Physics. 154 (2021) 17 - p. , 2021

Link: https://doi.org/10.1063/..

14

Handling Ensemble N-Representability Constraint in Explicit..:

Yao, Yi-Fan ; Fang, Wei-Hai ; Su, Neil Qiang
The Journal of Physical Chemistry Letters. 12 (2021) 29 - p. 6788-6793 , 2021

Link: https://doi.org/10.1021/..

15

The Role of Range-Separated Correlation in Long-Range Corre..:

Ai, Wenna ; Fang, Wei-Hai ; Su, Neil Qiang
The Journal of Physical Chemistry Letters. 12 (2021) 4 - p. 1207-1213 , 2021

Link: https://doi.org/10.1021/..