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List of works by Caio L Firme

Derivatives of spiropentadiene dication: new species with planar tetracoordinate carbon (ptC) atom

scientific article

Electronic nature of carbonium ions and their silicon analogues.

scientific article published in March 2008

Electronic nature of planar cyclobutenyl dication derivatives.

scientific article published on 19 October 2007

Electronic structures of bisnoradamantenyl and bisnoradamantanyl dications and related species ⬇️

scientific article published on February 28, 2013

Hydrogen-hydrogen bonds in highly branched alkanes and in alkane complexes: A DFT, ab initio, QTAIM, and ELF study

scientific article published on 24 February 2014

Laser flash photolysis of 1,2-diketopyracene and a theoretical study of the phenolic hydrogen abstraction by the triplet state of cyclic alpha-diketones

scientific article

New insights into the stability of alkenes and alkynes, fluoro-substituted or not: a DFT, G4, QTAIM and GVB study.

scientific article

Relation between topology and stability of bent titanocenes.

scientific article published on 5 April 2013

Revisiting the mechanism for the polar hydrochlorination of alkenes

scientific article published on 25 April 2019

Theoretical study of photochemical hydrogen abstraction by triplet aliphatic carbonyls by using density functional theory

scientific article published on 07 January 2013

Understanding the planar tetracoordinate carbon atom: spiropentadiene dication.

scientific article published on 8 January 2008

Validation of the recently developed aromaticity index D3BIA for benzenoid systems. Case study: acenes.

scientific article

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