| Relation between bond order and delocalization index of QTAIM CL Firme, OAC Antunes, PM Esteves Chemical Physics Letters 468 (4-6), 129-133, 2009 | 132 | 2009 |
| Hydrogen–hydrogen bonds in highly branched alkanes and in alkane complexes: a DFT, ab initio, QTAIM, and ELF study NKV Monteiro, CL Firme The Journal of Physical Chemistry A 118 (9), 1730-1740, 2014 | 79 | 2014 |
| Laser flash photolysis of 1, 2-diketopyracene and a theoretical study of the phenolic hydrogen abstraction by the triplet state of cyclic α-diketones NC de Lucas, RJ Correa, ACC Albuquerque, CL Firme, SJ Garden, ... The Journal of Physical Chemistry A 111 (6), 1117-1122, 2007 | 41 | 2007 |
| A combined laser flash photolysis, density functional theory and atoms in molecules study of the photochemical hydrogen abstraction by pyrene-4, 5-dione NC de Lucas, MM Elias, CL Firme, RJ Corrêa, SJ Garden, ... Journal of Photochemistry and Photobiology A: Chemistry 201 (1), 1-7, 2009 | 39 | 2009 |
| Topological study of bis (cyclopentadienyl) titanium and bent titanocenes CL Firme, DL Pontes, OAC Antunes Chemical Physics Letters 499 (4-6), 193-198, 2010 | 27 | 2010 |
| QTAIM and NCI analysis of intermolecular interactions in steroid ligands binding a cytochrome P450 enzyme–Beyond the most obvious interactions CL Firme, NKV Monteiro, SRB Silva Computational and Theoretical Chemistry 1111, 40-49, 2017 | 25 | 2017 |
| Exchange bias and spin glass in La2FeMnO6 nanoparticles JB de Azevedo Filho, JH de Araújo, MA Morales, CL Firme, JB de Oliveira Journal of Magnetism and Magnetic Materials 471, 177-184, 2019 | 23 | 2019 |
| Density, degeneracy, delocalization-based index of aromaticity (D3BIA) CL Firme, SE Galembeck, OAC Antunes, PM Esteves Journal of the Brazilian Chemical Society 18, 1397-1404, 2007 | 19 | 2007 |
| Stability and electronic structures of substituted tetrahedranes, silicon and germanium parents–a DFT, ADMP, QTAIM and GVB study NKV Monteiro, JF de Oliveira, CL Firme New Journal of Chemistry 38 (12), 5892-5904, 2014 | 18 | 2014 |
| Understanding the planar tetracoordinate carbon atom: Spiropentadiene dication CL Firme, NBP Barreiro, PM Esteves, RJ Corrêa The Journal of Physical Chemistry A 112 (4), 686-692, 2008 | 17 | 2008 |
| Experimental and NMR theoretical methodology applied to geometric analysis of the bioactive clerodane trans-dehydrocrotonin BA Soares, CL Firme, MAM Maciel, CR Kaiser, E Schilling, AJ Bortoluzzi Journal of the Brazilian Chemical Society 25, 629-638, 2014 | 14 | 2014 |
| A internet como fonte de informação bibliográfica em química AR Santos, CL Firme, JC Barros Química Nova 31, 445-451, 2008 | 12 | 2008 |
| Electronic nature of planar cyclobutenyl dication derivatives CL Firme, OAC Antunes, PM Esteves The Journal of Physical Chemistry A 111 (46), 11904-11907, 2007 | 12 | 2007 |
| Introductory organic chemistry and hydrocarbons: a physical chemistry approach CL Firme Crc Press, 2019 | 11 | 2019 |
| Electronic nature of carbonium ions and their silicon analogues CL Firme, OAC Antunes, PM Esteves The Journal of Physical Chemistry A 112 (14), 3165-3171, 2008 | 11 | 2008 |
| Olefin polymerisation with hafnocenes: A bridged alicyclic alcohol as a ligand and as the hafnocene modifier AV Grafov, CL Firme, IA Grafova, F Benetollo, ML Dias, MJM Abadie Polymer 46 (23), 9626-9631, 2005 | 11 | 2005 |
| Revisiting electronic nature and geometric parameters of cyclophanes and their relation with stability–DFT, QTAIM and NCI study CL Firme, DM Araújo Computational and Theoretical Chemistry 1135, 18-27, 2018 | 10 | 2018 |
| New insights into the stability of alkenes and alkynes, fluoro-substituted or not: a DFT, G4, QTAIM and GVB study GR Silva de Freitas, CL Firme Journal of molecular modeling 19, 5267-5276, 2013 | 10 | 2013 |
| Electronic nature of the aromatic adamantanediyl ions and its analogues CL Firme, OAC Antunes, PM Esteves Journal of the Brazilian Chemical Society 19, 140-149, 2008 | 10 | 2008 |
| Validation of the recently developed aromaticity index D3BIA for benzenoid systems. Case study: acenes DM Araújo, TF da Costa, CL Firme Journal of molecular modeling 21, 1-10, 2015 | 9 | 2015 |
