DFT-based study on the differences between odd and even Cn (n = 6–31) ring clusters
The gas-phase Cn (n = 6–31) carbocyclic clusters were systematically investigated based on DFT using ABCluster software. In this work, two geometrical parameters, degree of circularity and the ratio of carbon atoms occupying the fitted circle, were defined for the geometrical circle formed by Cn (n ...
| Main Authors: | , , , , , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
Elsevier
2023-09-01
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| Series: | Results in Physics |
| Subjects: | |
| Online Access: | http://www.sciencedirect.com/science/article/pii/S2211379723006459 |