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Issue Date
Title
Author(s)
28-Feb-2013
Electronic structures of bisnoradamantenyl and bisnoradamantanyl dications and related species
Firme, Caio Lima; Costa, Tamires Ferreira da; Penha, Eduardo Tanoue da; Esteves, Pierre Mothé
17-Oct-2013
New insights into the stability of alkenes and alkynes, fluoro-substituted or not: a DFT, G4, QTAIM and GVB study
Freitas, Gutto Raffyson Silva de; Firme, Caio Lima
5-Apr-2013
Relation between topology and stability of bent titanocenes
Santos, Hugo Felix Lima dos; Pontes, Daniel de Lima; Firme, Caio Lima
Mar-2012
Topological study of the first step of nucleophilically unassisted solvolysis of protonated 2-endo/exo-norbornanol and protonated 2-endo/exo-oxabicycloheptanol
Firme, Caio Lima
Apr-2014
Experimental and NMR theoretical methodology applied to geometric analysis of the bioactive clerodane trans-dehydrocrotonin
Soares, Breno Almeida; Firme, Caio Lima; Maciel, Maria Aparecida Medeiros; Kaiser, Carlos Roland; Schilling, Eduardo; Bortoluzzi, Adailton João
19-Dec-2015
Synthesis, NMR data and theoretical study of semi-synthetic derivatives from trans-dehydrocrotonin
Soares, Breno Almeida; Maciel, Maria Aparecida Medeiros; Castro, Rosane Nora; Kaiser, Carlos R.; Firme, Caio Lima
2009
Identification of carbonium and carbenium ions by QTAIM
Firme, Caio Lima; Antunes, Octavio Augusto Ceva; Esteves, Pierre Mothé
7-Aug-2017
D2BIA—flexible, not (explicitly) arbitrary and reference/structurally invariant—a very effective and improved version of the D3BIA aromaticity index
Firme, Caio Lima; Araújo, Diógenes Mendes
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Author
8
Firme, Caio Lima
2
Esteves, Pierre Mothé
2
Maciel, Maria Aparecida Medeiros
2
Soares, Breno Almeida
1
Antunes, Octavio Augusto Ceva
1
Araújo, Diógenes Mendes
1
Bortoluzzi, Adailton João
1
Castro, Rosane Nora
1
Costa, Tamires Ferreira da
1
Freitas, Gutto Raffyson Silva de
.
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3
DFT
2
Carbonium ion
2
NMR
2
Stability
1
2-norbornyl cation
1
2-oxabicycloheptanol
1
Alkene
1
Alkyne
1
Aromaticity index
1
Bent titanocene
.
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