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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
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
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
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
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
5-Apr-2013
Relation between topology and stability of bent titanocenes
Santos, Hugo Felix Lima dos; Pontes, Daniel de Lima; Firme, Caio Lima
22-Jan-2009
Relation between bond order and delocalization index of QTAIM
Firme, Caio Lima; Antunes, Octávio Augusto Ceva; Esteves, Pierre Mothé
17-Apr-2017
QTAIM and NCI analysis of intermolecular interactions in steroid ligands binding a cytochrome P450 enzyme – Beyond the most obvious interactions
Firme, Caio Lima; Monteiro, Norberto K.V.; Silva, Sérgio R.B.
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Author
10
Firme, Caio Lima
3
Esteves, Pierre Mothé
2
Maciel, Maria Aparecida Medeiros
2
Soares, Breno Almeida
1
Antunes, Octavio Augusto Ceva
1
Antunes, Octávio Augusto Ceva
1
Araújo, Diógenes Mendes
1
Bortoluzzi, Adailton João
1
Castro, Rosane Nora
1
Costa, Tamires Ferreira da
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DFT
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Carbonium ion
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Delocalization index
2
NMR
2
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2-norbornyl cation
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2-oxabicycloheptanol
1
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Alkene
1
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