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Issue DateTitleAuthor(s)
17-Oct-2013New insights into the stability of alkenes and alkynes, fluoro-substituted or not: a DFT, G4, QTAIM and GVB studyFreitas, Gutto Raffyson Silva de; Firme, Caio Lima
22-Jan-2009Relation between bond order and delocalization index of QTAIMFirme, Caio Lima; Antunes, Octávio Augusto Ceva; Esteves, Pierre Mothé
28-Feb-2013Electronic structures of bisnoradamantenyl and bisnoradamantanyl dications and related speciesFirme, Caio Lima; Costa, Tamires Ferreira da; Penha, Eduardo Tanoue da; Esteves, Pierre Mothé
5-Apr-2013Relation between topology and stability of bent titanocenesSantos, Hugo Felix Lima dos; Pontes, Daniel de Lima; Firme, Caio Lima
Mar-2012Topological study of the first step of nucleophilically unassisted solvolysis of protonated 2-endo/exo-norbornanol and protonated 2-endo/exo-oxabicycloheptanolFirme, Caio Lima
7-Aug-2017D2BIA—flexible, not (explicitly) arbitrary and reference/structurally invariant—a very effective and improved version of the D3BIA aromaticity indexFirme, Caio Lima; Araújo, Diógenes Mendes