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Conceptual density functional theory based electronic structure principles

In this review article, we intend to highlight the basic electronic structure principles and various reactivity descriptors as defined within the premise of conceptual density functional theory (CDFT). Over the past several decades, CDFT has proven its worth in providing valuable insights into vario...

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Detalles Bibliográficos
Autores principales:	Chakraborty, Debdutta, Chattaraj, Pratim Kumar
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	The Royal Society of Chemistry 2021
Materias:	Chemistry
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8115084/ https://www.ncbi.nlm.nih.gov/pubmed/34084424 http://dx.doi.org/10.1039/d0sc07017c

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