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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Bibliografiske detaljer
Udgivet i:Molecules
Main Authors: de Oliveira, Rhuiago Mendes, Machado de Macedo, Luiz Guilherme, da Cunha, Thiago Ferreira, Pirani, Fernando, Gargano, Ricardo
Format: Artigo
Sprog:Inglês
Udgivet: MDPI 2021
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Article
Online adgang:https://ncbi.nlm.nih.gov/pmc/articles/PMC8271504/
https://ncbi.nlm.nih.gov/pubmed/34206733
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.3390/molecules26133906
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