Perspectives on the role of the frontier effective-for-reaction molecular orbital (FERMO) in the study of chemical reactivity: an updated review

Registro completo de metadados
MetadadosDescriçãoIdioma
Autor(es): dc.creatorBraga, Letícia S.-
Autor(es): dc.creatorLeal, Daniel H. S.-
Autor(es): dc.creatorKuca, Kamil-
Autor(es): dc.creatorRamalho, Teodorico C.-
Data de aceite: dc.date.accessioned2026-02-09T12:51:57Z-
Data de disponibilização: dc.date.available2026-02-09T12:51:57Z-
Data de envio: dc.date.issued2020-06-04-
Data de envio: dc.date.issued2020-06-04-
Data de envio: dc.date.issued2019-
Fonte completa do material: dc.identifierhttps://repositorio.ufla.br/handle/1/41353-
Fonte completa do material: dc.identifierhttp://www.eurekaselect.com/179011/article-
Fonte: dc.identifier.urihttp://educapes.capes.gov.br/handle/capes/1169795-
Descrição: dc.descriptionMolecular orbitals are critical in the rationalization of several chemical reactions. Thus, the frontier molecular orbital theory, proposed by Fukui's group, postulated the importance of the Highest Occupied Molecular Orbital (HOMO) and the Lowest Unoccupied Molecular Orbital (LUMO) for chemical reactions. It should be kept in mind, however, that there are limitations of this theory and new perspectives about the chemical reactivity have recently been arisen based on composition and location of other frontier molecular orbitals. In this review, we have reported the development and the most recent applications of the Frontier Effective-for-Reaction Molecular Orbital (FERMO) concept, which describes the breaking and formation of new chemical bonds and can in turn, provide important clues that modulate chemical reactivity of atoms and molecules.-
Formato: dc.formatapplication/pdf-
Idioma: dc.languageen-
Publicador: dc.publisherBentham Science Publishers-
Direitos: dc.rightsrestrictAccess-
???dc.source???: dc.sourceCurrent Organic Chemistry-
Palavras-chave: dc.subjectFrontier Molecular Orbital (FMO)-
Palavras-chave: dc.subjectFrontier Effective-for-Reaction Molecular Orbital (FERMO)-
Palavras-chave: dc.subjectHighest Occupied Molecular Orbital (HOMO)-
Palavras-chave: dc.subjectLowest Unoccupied Molecular Orbital (LUMO)-
Palavras-chave: dc.subjectTheoretical calculations-
Palavras-chave: dc.subjectReactivity-
Palavras-chave: dc.subjectMolecular orbital-
Título: dc.titlePerspectives on the role of the frontier effective-for-reaction molecular orbital (FERMO) in the study of chemical reactivity: an updated review-
Tipo de arquivo: dc.typeArtigo-
Aparece nas coleções:Repositório Institucional da Universidade Federal de Lavras (RIUFLA)

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