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Surface interaction and inhibition mechanism prediction of Aciclovir molecule on Fe (110) using computational model based on DFT, RDF and MD simulation

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dc.contributor.authorChikaodili, Anadebe, V.
dc.contributor.authorAbeng, F. E.
dc.contributor.authorThakur, A.
dc.contributor.authorKatin, K. P.
dc.contributor.authorКатин, Константин Петрович
dc.date.accessioned2024-12-04T11:37:06Z
dc.date.available2024-12-04T11:37:06Z
dc.date.issued2024
dc.identifier.citationSurface interaction and inhibition mechanism prediction of Aciclovir molecule on Fe (110) using computational model based on DFT, RDF and MD simulation / Chikaodili, Anadebe, V. [et al.] // Computational and Theoretical Chemistry. - 2024. - 1238. - 10.1016/j.comptc.2024.114702
dc.identifier.doi10.1016/j.comptc.2024.114702
dc.identifier.urihttps://www.doi.org/10.1016/j.comptc.2024.114702
dc.identifier.urihttps://www.scopus.com/record/display.uri?eid=2-s2.0-85196018821&origin=resultslist
dc.identifier.urihttps://openrepository.mephi.ru/handle/123456789/26054
dc.relation.ispartofComputational and Theoretical Chemistry
dc.titleSurface interaction and inhibition mechanism prediction of Aciclovir molecule on Fe (110) using computational model based on DFT, RDF and MD simulation
dc.typeArticle
dspace.entity.typePublication
oaire.citation.volume1238
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relation.isAuthorOfPublication.latestForDiscovery04d8b4a2-cd20-4cb6-87ed-17a7a821d126
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