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Adsorption and Electronic Structure of Imidazole-Based Inhibitors on Fe(100): A Combined DFT and DFTB Study.

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Title: Adsorption and Electronic Structure of Imidazole-Based Inhibitors on Fe(100): A Combined DFT and DFTB Study.
Authors: Navarrete-Mosquera, Andrea1 (AUTHOR), Palomares-Báez, Juan Pedro2 (AUTHOR), Soto-Rojo, Rody1,3 (AUTHOR), Delgado-Montiel, Tomás1 (AUTHOR), Soto-Acosta, Samuel1,2 (AUTHOR), Sánchez-Bojorge, Nora Aydee2,3 (AUTHOR), Glossman-Mitnik, Daniel3 (AUTHOR), Baldenebro-López, Jesús1 (AUTHOR) jesus.baldenebro@uas.edu.mx
Source: Organics. Jun2026, Vol. 7 Issue 2, p21. 19p.
Database: Academic Search Ultimate
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ISSN:2673401X
DOI:10.3390/org7020021