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Results 1-10 of 14 (Search time: 0.021 seconds).
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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
18-Dec-2012
Theoretical study of photochemical hydrogen abstraction by triplet aliphatic carbonyls by using density functional theory
Firme, Caio Lima; Garden, Simon John; Lucas, Nanci Câmara de; Nicodem, David Ernest; Corrêa, Rodrigo José
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
1-Jan-2009
A combined laser flash photolysis, density functional theory and atoms in molecules study of the photochemical hydrogen abstraction by pyrene-4,5-dione
Lucas, Nanci Câmara de; Elias, Mônica Maciel; Firme, Caio Lima; Corrêa, Rodrigo José; Garden, Simon John; Netto-Ferreira, José Carlos; Nicodem, David Ernest
5-Apr-2013
Relation between topology and stability of bent titanocenes
Santos, Hugo Felix Lima dos; Pontes, Daniel de Lima; Firme, Caio Lima
11-Mar-2009
Derivatives of spiropentadiene dication: New species with planar tetracoordinate carbon (ptC) atom
Firme, Caio Lima; Antunes, Octávio Augusto Ceva; Esteves, Pierre Mothé; Corrêa, Rodrigo José
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
2014
Propriedades relacionadas à acidez e basicidade a partir da abordagem em química computacional
Silva, Sérgio Ruschi Bergamachi; Firme, Caio Lima; Lima, Kássio Michell Gomes de
2015
Teaching thermodynamic, geometric and electronic aspects of diels-alder cycloadditions by using computational chemistry: an undergraduate experiment
Monteiro, Norberto de Kássio Vieira; Firme, Caio Lima
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Author
3
Corrêa, Rodrigo José
3
Esteves, Pierre Mothé
2
Araújo, Diógenes Mendes
2
Costa, Tamires Ferreira da
2
Garden, Simon John
2
Lucas, Nanci Câmara de
2
Maciel, Maria Aparecida Medeiros
2
Nicodem, David Ernest
2
Soares, Breno Almeida
1
Antunes, Octavio Augusto Ceva
.
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Subject
8
QTAIM
5
DFT
2
Aromaticity index
2
Carbonium ion
2
D3BIA
2
NMR
2
Stability
1
2-norbornyl cation
1
2-oxabicycloheptanol
1
Acenes
.
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