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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...
Autores principales: | Jodra, Alejandro, García-Iriepa, Cristina, Frutos, Luis Manuel |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
American Chemical Society
2023
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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 |
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