Theoretical design of green corrosion inhibitors using novel benzimidazolyl-pentane-1,2,3,4,5-pentaol derivatives as a case study: DFT calculations, Monte Carlo simulations and ecotoxicity prediction.
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| Title: | Theoretical design of green corrosion inhibitors using novel benzimidazolyl-pentane-1,2,3,4,5-pentaol derivatives as a case study: DFT calculations, Monte Carlo simulations and ecotoxicity prediction. |
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| Authors: | Olasunkanmi, Lukman O.1,2 (AUTHOR) loolasunkanmi@oauife.edu.ng, Famutimi, Oladoyin G.3 (AUTHOR), Raimi, Idris O.4 (AUTHOR), Omoboye, Olumide O.5 (AUTHOR), Waziri, Ibrahim6 (AUTHOR), Olomola, Temitope O.1 (AUTHOR), Taleatu, Bidini A.7 (AUTHOR), Adekunle, Abolanle S.1 (AUTHOR) |
| Source: | Discover Molecules (3004-9350). Dec2025, Vol. 2 Issue 1, p1-15. 15p. |
| Database: | Academic Search Ultimate |
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| DOI: | 10.1007/s44345-025-00041-9 |
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