1. Universidade Federal do Rio Grande do Norte

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Results 1-10 of 17 (Search time: 0.264 seconds).
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Issue DateTitleAuthor(s)
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
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
1-Jan-2009A combined laser flash photolysis, density functional theory and atoms in molecules study of the photochemical hydrogen abstraction by pyrene-4,5-dioneLucas, Nanci Câmara de; Elias, Mônica Maciel; Firme, Caio Lima; Corrêa, Rodrigo José; Garden, Simon John; Netto-Ferreira, José Carlos; Nicodem, David Ernest
11-Mar-2009Derivatives of spiropentadiene dication: New species with planar tetracoordinate carbon (ptC) atomFirme, Caio Lima; Antunes, Octávio Augusto Ceva; Esteves, Pierre Mothé; Corrêa, Rodrigo José
18-Dec-2012Theoretical study of photochemical hydrogen abstraction by triplet aliphatic carbonyls by using density functional theoryFirme, Caio Lima; Garden, Simon John; Lucas, Nanci Câmara de; Nicodem, David Ernest; Corrêa, Rodrigo José
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
2009Identification of carbonium and carbenium ions by QTAIMFirme, Caio Lima; Antunes, Octavio Augusto Ceva; Esteves, Pierre Mothé
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
2-Sep-2015Validation of the recently developed aromaticity index D3BIA for benzenoid systems. Case study: acenesAraújo, Diógenes Mendes; Costa, Tamires Ferreira da; Firme, Caio Lima
19-Dec-2015Synthesis, NMR data and theoretical study of semi-synthetic derivatives from trans-dehydrocrotoninSoares, Breno Almeida; Maciel, Maria Aparecida Medeiros; Castro, Rosane Nora; Kaiser, Carlos R.; Firme, Caio Lima

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