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Ab Initio Potential Energy Surface and Vibration–Rotation Energy Levels of Aluminum Monohydroxide
[Image: see text] The potential energy surface and vibration–rotation energy levels of aluminum monohydroxide in the X̃(1)A′ electronic state have been determined from ab initio calculations. The equilibrium configuration of the AlOH molecule was found to be bent, although with a wide AlOH angle of...
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical Society
2023
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10591505/ https://www.ncbi.nlm.nih.gov/pubmed/37793006 http://dx.doi.org/10.1021/acs.jpca.3c05635 |