External electric effect on the adsorption of benzene on Mg4O4 cluster: A DFT investigation
In this work, the adsorption of benzene on the Mg4O4 cluster was illustrated in the absence and presence of external electric field (EEF) along x-axis by LC-ωPBE model. EEF effect on the adsorption energy values was investigated. Variations in the dipole moment, polarizability as well as structural...
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| Main Authors: | , , |
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| Format: | Article |
| Language: | English |
| Published: |
Elsevier
2025-03-01
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| Series: | Results in Chemistry |
| Subjects: | |
| Online Access: | http://www.sciencedirect.com/science/article/pii/S2211715625000918 |
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