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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...

Ausführliche Beschreibung

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Bibliographische Detailangaben
Veröffentlicht in:Molecules
Hauptverfasser: de Oliveira, Rhuiago Mendes, Machado de Macedo, Luiz Guilherme, da Cunha, Thiago Ferreira, Pirani, Fernando, Gargano, Ricardo
Format: Artigo
Sprache:Inglês
Veröffentlicht: MDPI 2021
Schlagworte:
Online Zugang: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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