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Abstract
First-principles calculations show a self-isomerization process of the nearly planar superatom, in which the maximum energy difference between different extreme points is below 0.1 eV and a crossing between singlet and triplet states is also involved. Further UV-Vis spectra reveal a correlation between the spectra and structures caused by self-isomerization.
| Original language | English |
|---|---|
| Pages (from-to) | 1612-1615 |
| Number of pages | 4 |
| Journal | Physical Chemistry Chemical Physics |
| Volume | 25 |
| Issue number | 3 |
| Online published | 15 Dec 2022 |
| DOIs | |
| Publication status | Published - 21 Jan 2023 |
Funding
This work was supported by the National Natural Science Foundation of China (11974136) and the Research Grant Council of Hong Kong SAR (11317122). Z. W. also acknowledges the High-Performance Computing Center of Jilin University and the National Supercomputing Center in Shanghai.
Research Keywords
- ORBITALS
RGC Funding Information
- RGC-funded
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Dive into the research topics of 'Self-isomerization of nearly planar superatoms formed by actinide embedded gold clusters'. Together they form a unique fingerprint.Projects
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GRF: Electronic Structures and Excited State Dynamics of Superatoms
ZHANG, R. (Principal Investigator / Project Coordinator) & WANG, Z. G. (Co-Investigator)
1/10/22 → …
Project: Research
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