E-LIB Suche - Ergebnisse für: Li, Wan-Lu

1

AnB8−: borozene complexes with monovalent actinide:

Li, Wan-Lu ; Burkhardt, Jordan
Physical Chemistry Chemical Physics. 26 (2024) 22 - p. 16091-16095 , 2024

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

2

Local-strain-induced CO2 adsorption geometries and electroc..:

Liu, Chuhao ; Bu, Yifan ; Xu, Yifei...
National Science Review. , 2024

Link: https://doi.org/10.1093/..

3

How thermal fluctuations influence the function of the FeMo..:

Li, Wan-Lu ; Li, Yong ; Li, Jun.
Chem Catalysis. 3 (2023) 7 - p. 100662 , 2023

Link: https://doi.org/10.1016/..

4

Greater transferability and accuracy of norm-conserving pse..:

Li, Wan-Lu ; Chen, Kaixuan ; Rossomme, Elliot..
Chemical Science. 14 (2023) 39 - p. 10934-10943 , 2023

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

5

The smallest 4f-metalla-aromatic molecule of cyclo-PrB2− wi..:

Wang, Zhen-Ling ; Chen, Teng-Teng ; Chen, Wei-Jia...
Chemical Science. 13 (2022) 34 - p. 10082-10094 , 2022

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

6

Optimizing the Solvent Reorganization Free Energy by Metal ..:

Li, Wan-Lu ; Hao, Hongxia ; Head-Gordon, Teresa
ACS Catalysis. 12 (2022) 7 - p. 3782-3788 , 2022

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

7

AuB8−: an Au–borozene complex:

Chen, Wei-Jia ; Zhang, Yang-Yang ; Li, Wan-Lu...
Chemical Communications. 58 (2022) 19 - p. 3134-3137 , 2022

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

8

Quantum chemical studies of the electronic structures of an..:

Fu, Wen-Jie ; Li, Wan-Lu ; Zhang, Yi-Xiang..
Computational and Theoretical Chemistry. 1211 (2022) - p. 113685 , 2022

Link: https://doi.org/10.1016/..

9

Expanded Inverse-Sandwich Complexes of Lanthanum Borides: L..:

Jiang, Zhi-Yu ; Chen, Teng-Teng ; Chen, Wei-Jia...
The Journal of Physical Chemistry A. 125 (2021) 12 - p. 2622-2630 , 2021

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

10

Optimized Pseudopotentials and Basis Sets for Semiempirical..:

Li, Wan-Lu ; Chen, Kaixuan ; Rossomme, Elliot..
The Journal of Physical Chemistry Letters. 12 (2021) 42 - p. 10304-10309 , 2021

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

11

Monovalent lanthanide(I) in borozene complexes:

Li, Wan-Lu ; Chen, Teng-Teng ; Chen, Wei-Jia..
Nature Communications. 12 (2021) 1 - p. , 2021

Link: https://doi.org/10.1038/..

12

Challenges for density functional theory: calculation of CO..:

Lininger, Christianna N. ; Gauthier, Joseph A. ; Li, Wan-Lu...
Physical Chemistry Chemical Physics. 23 (2021) 15 - p. 9394-9406 , 2021

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

13

Critical Role of Thermal Fluctuations for CO Binding on Ele..:

Li, Wan-Lu ; Lininger, Christianna N. ; Chen, Kaixuan...
JACS Au. 1 (2021) 10 - p. 1708-1718 , 2021

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

14

d- and s-orbital populations in the d block: unbound atoms ..:

Chen, Kaixuan ; Li, Wan-Lu ; Schwarz, W. H. Eugen
Zeitschrift für Naturforschung B. 76 (2021) 10-12 - p. 547-557 , 2021

Link: https://doi.org/10.1515/..

15

Linear Combination of Atomic Dipoles to Calculate the Bond ..:

Chen, Kaixuan ; Li, Wan-Lu ; Head-Gordon, Teresa
The Journal of Physical Chemistry Letters. 12 (2021) 51 - p. 12360-12369 , 2021

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