Computational insights into the surface interaction and corrosion inhibition mechanism of Niraparib drug on Fe (110) surface in HCl media: DFT, Monte Carlo and Molecular Dynamic simulations

Journal of Molecular Graphics and Modelling 2026

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Authors: Narasimha Raghavendra, Leena V. Hublikar
DOI: 10.1016/j.jmgm.2026.109349
Cited by: 5
References: 22

Fields of Study & Subjects

Environmental remediation with nanomaterials Corrosion Behavior and Inhibition Electrocatalysts for Energy Conversion

Publication details

Journal / source
Journal of Molecular Graphics and Modelling
Publisher
Elsevier BV
Volume
145
Pages
109349–109349
Publication date
7 March 2026
Language
EN