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Ab Initio Intermolecular Potential Energy Surfaces and Cross Second Virial Coefficients for the Dimer N(2)-NO
[Image: see text] Ab initio intermolecular potential energy surfaces (PES) of N(2)-NO have been constructed at the level of theory CCSD(T) with the augmented correlation-consistent basis sets aug-cc-pVmZ (with m = 2, 3, 4). The nitrogen in the closed-shell electronic configuration X(1)Σ(+) and nitri...
| Autores principales: | , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical Society
2020
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7271377/ https://www.ncbi.nlm.nih.gov/pubmed/32548438 http://dx.doi.org/10.1021/acsomega.0c01540 |