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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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Detalhes bibliográficos
Publicado no:Chem Sci
Main Authors: Chakraborty, Debdutta, Chattaraj, Pratim Kumar
Formato: Artigo
Idioma:Inglês
Publicado em: The Royal Society of Chemistry 2021
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC8115084/
https://ncbi.nlm.nih.gov/pubmed/34084424
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1039/d0sc07017c
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