Statistical Significance of the Maximum Hardness Principle Applied to Some Selected Chemical Reactions

The validity of the maximum hardness principle (MHP) is tested in the cases of 50 chemical reactions, most of which are organic in nature and exhibit anomeric effect. To explore the effect of the level of theory on the validity of MHP in an exothermic reaction, B3LYP/6-311++G(2df,3pd) and LC-BLYP/6-...

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Detalles Bibliográficos
Autores principales: Saha, Ranajit, Pan, Sudip, Chattaraj, Pratim K.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2016
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6273755/
https://www.ncbi.nlm.nih.gov/pubmed/27827967
http://dx.doi.org/10.3390/molecules21111477

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6273755/
https://www.ncbi.nlm.nih.gov/pubmed/27827967
http://dx.doi.org/10.3390/molecules21111477

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