Inversion Theory Leveling as a New Methodological Approach to Antioxidant Thermodynamics: A Case Study on Phenol

Antioxidants are various types of compounds that represent a link between biology and chemistry. With the development of theoretical and computational methods, antioxidants are now being studied theoretically. Here, a novel method is presented that aims to reduce the estimated wall times for DFT cal...

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Detalles Bibliográficos
Autores principales: Stamenković, Nikola, Cerkovnik, Janez, Poklar Ulrih, Nataša
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2023
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9952401/
https://www.ncbi.nlm.nih.gov/pubmed/36829841
http://dx.doi.org/10.3390/antiox12020282

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9952401/
https://www.ncbi.nlm.nih.gov/pubmed/36829841
http://dx.doi.org/10.3390/antiox12020282

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