A Spectroscopic Validation of the Improved Lennard–Jones Model

The Lennard–Jones (LJ) and Improved Lennard–Jones (ILJ) potential models have been deeply tested on the most accurate CCSD(T)/CBS electronic energies calculated for some weakly bound prototype systems. These results are important to plan the correct application of such models to systems at increasin...

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Detalles Bibliográficos
Autores principales: de Oliveira, Rhuiago Mendes, Machado de Macedo, Luiz Guilherme, da Cunha, Thiago Ferreira, Pirani, Fernando, Gargano, Ricardo
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2021
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8271504/
https://www.ncbi.nlm.nih.gov/pubmed/34206733
http://dx.doi.org/10.3390/molecules26133906

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8271504/
https://www.ncbi.nlm.nih.gov/pubmed/34206733
http://dx.doi.org/10.3390/molecules26133906

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