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An Algorithm Predicting the Optimal Mechanical Response of Electronic Energy Difference

[Image: see text] The use of mechanical forces at the molecular level has been shown to be an interesting tool for modulating different chemical and physical molecular properties. The so-called covalent mechanochemistry deals with the application of precise mechanical forces that induce specific cha...

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Detalles Bibliográficos
Autores principales: Jodra, Alejandro, García-Iriepa, Cristina, Frutos, Luis Manuel
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2023
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10536970/
https://www.ncbi.nlm.nih.gov/pubmed/37669417
http://dx.doi.org/10.1021/acs.jctc.3c00490