On the Use of Popular Basis Sets: Impact of the Intramolecular Basis Set Superposition Error

The magnitude of intramolecular basis set superposition error (BSSE) is revealed via computing systematic trends in molecular properties. This type of error is largely neglected in the study of the chemical properties of small molecules and it has historically been analyzed just in the study of larg...

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Detalles Bibliográficos
Autores principales: Vidal Vidal, Ángel, de Vicente Poutás, Luis Carlos, Nieto Faza, Olalla, Silva López, Carlos
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2019
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6832644/
https://www.ncbi.nlm.nih.gov/pubmed/31652663
http://dx.doi.org/10.3390/molecules24203810

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6832644/
https://www.ncbi.nlm.nih.gov/pubmed/31652663
http://dx.doi.org/10.3390/molecules24203810

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