Mostrando resultados 8 a 18 de 18
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| Data do documento | Título | Autor(es) |
| 17-Out-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 |
| 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 |
| 17-Abr-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. |
| 22-Jan-2009 | Relation between bond order and delocalization index of QTAIM | Firme, Caio Lima; Antunes, Octávio Augusto Ceva; Esteves, Pierre Mothé |
| 5-Abr-2013 | Relation between topology and stability of bent titanocenes | Santos, Hugo Felix Lima dos; Pontes, Daniel de Lima; Firme, Caio Lima |
| 19-Dez-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 |
| 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 |
| 18-Dez-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 |
| 29-Out-2010 | Topological study of bis (cyclopentadienyl) titanium and bent titanocenes | Firme, Caio Lima; Pontes, Daniel de Lima; Antunes, Octávio Augusto Ceva |
| 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 |
| 2-Set-2015 | Validation of the recently developed aromaticity index D3BIA for benzenoid systems. Case study: acenes | Araújo, Diógenes Mendes; Costa, Tamires Ferreira da; Firme, Caio Lima |
