| The anomeric effect: the dominance of exchange effects in closed-shell systems GF Bauerfeldt, TM Cardozo, MS Pereira, CO da Silva Organic & Biomolecular Chemistry 11 (2), 299-308, 2013 | 58 | 2013 |
| Energy partitioning for generalized product functions: The interference contribution to the energy of generalized valence bond and spin coupled wave functions TM Cardozo, MAC Nascimento The Journal of chemical physics 130 (10), 2009 | 57 | 2009 |
| Nature of the chemical bond and origin of the inverted dipole moment in boron fluoride: a generalized valence bond approach F Fantuzzi, TM Cardozo, MAC Nascimento The Journal of Physical Chemistry A 119 (21), 5335-5343, 2015 | 35 | 2015 |
| Dynamics of benzene excimer formation from the parallel-displaced dimer TM Cardozo, AP Galliez, I Borges, F Plasser, AJA Aquino, M Barbatti, ... Physical Chemistry Chemical Physics 21 (26), 13916-13924, 2019 | 30 | 2019 |
| Absorption and Fluorescence Spectra of Poly(p-phenylenevinylene) (PPV) Oligomers: An ab Initio Simulation TM Cardozo, AJA Aquino, M Barbatti, I Borges Jr, H Lischka The Journal of Physical Chemistry A 119 (9), 1787-1795, 2015 | 29 | 2015 |
| Chemical Bonding in the N2 Molecule and the Role of the Quantum Mechanical Interference Effect TM Cardozo, MAC Nascimento The Journal of Physical Chemistry A 113 (45), 12541-12548, 2009 | 29 | 2009 |
| Interference Effect and the Nature of the π-Bonding in 1, 3-Butadiene TM Cardozo, G Nascimento Freitas, MAC Nascimento The Journal of Physical Chemistry A 114 (33), 8798-8805, 2010 | 27 | 2010 |
| The non-covalent nature of the molecular structure of the benzene molecule TM Cardozo, F Fantuzzi, MAC Nascimento Physical Chemistry Chemical Physics 16 (22), 11024-11030, 2014 | 26 | 2014 |
| Interference Energy in C–H and C–C bonds of saturated hydrocarbons: dependence on the type of chain and relationship to bond dissociation energy FS Vieira, F Fantuzzi, TM Cardozo, MAC Nascimento The Journal of Physical Chemistry A 117 (19), 4025-4034, 2013 | 26 | 2013 |
| The role of quantum-mechanical interference and quasi-classical effects in conjugated hydrocarbons F Fantuzzi, TM Cardozo, MAC Nascimento Physical Chemistry Chemical Physics 14 (16), 5479-5488, 2012 | 24 | 2012 |
| The nature of the singlet and triplet states of cyclobutadiene as revealed by quantum interference F Fantuzzi, TM Cardozo, MAC Nascimento ChemPhysChem 17 (2), 288-295, 2016 | 21 | 2016 |
| Solvent effects on the decarboxylation of trichloroacetic acid: insights from ab initio molecular dynamics simulations GCQ da Silva, TM Cardozo, GW Amarante, CRA Abreu, BAC Horta Physical Chemistry Chemical Physics 20 (34), 21988-21998, 2018 | 20 | 2018 |
| On the metastability of doubly charged homonuclear diatomics F Fantuzzi, TM Cardozo, MAC Nascimento Physical Chemistry Chemical Physics 19 (29), 19352-19359, 2017 | 19 | 2017 |
| Excitonic and charge transfer interactions in tetracene stacked and T-shaped dimers D CA Valente, MT Do Casal, M Barbatti, TA Niehaus, AJA Aquino, ... The Journal of Chemical Physics 154 (4), 2021 | 17 | 2021 |
| New class of molecules predicted to exhibit non-linear optical properties TM Cardozo, MAC Nascimento Journal of materials science 40 (13), 3549-3551, 2005 | 15 | 2005 |
| On the Cooperative Origin of Solvent-Enhanced Symmetry-Breaking Charge Transfer in a Covalently Bound Tetracene Dimer Leading to Singlet Fission RS Mattos, I Burghardt, AJA Aquino, TM Cardozo, H Lischka Journal of the American Chemical Society 144 (51), 23492-23504, 2022 | 11 | 2022 |
| Impact of low-cost methods in the description of excimer and exciplex formation: Pyrene–pyrene and pyrene–naphthalene case studies MT do Casal, TM Cardozo Theoretical Chemistry Accounts 139, 1-13, 2020 | 9 | 2020 |
| Characterization of (NH3)n=1-6NH+ Clusters Produced by 252Cf Fragments Impact onto a NH3 Condensed Target FA Fernandez-Lima, TM Cardozo, RM Rodriguez, CR Ponciano, ... The Journal of Physical Chemistry A 111 (34), 8302-8307, 2007 | 9 | 2007 |
| Dinuclear copper (ii) complexes containing oxamate and blocking ligands: crystal structure, magnetic properties, and DFT calculations TRG Simões, WD do Pim, KC Metz, MA Ribeiro, DCA Valente, ... New Journal of Chemistry 44 (6), 2597-2608, 2020 | 6 | 2020 |
| DABCO-promoted photocatalytic C–H functionalization of aldehydes BM da Silva Santos, M dos Santos Dupim, CP de Souza, TM Cardozo, ... Beilstein Journal of Organic Chemistry 17 (1), 2959-2967, 2021 | 5 | 2021 |
