| Quantifying electron correlation of the chemical bond JL McDonagh, AF Silva, MA Vincent, PLA Popelier The Journal of Physical Chemistry Letters 8 (9), 1937-1942, 2017 | 46 | 2017 |
| How accessible is atomic charge information from infrared intensities? A QTAIM/CCFDF interpretation AF Silva, WE Richter, HGC Meneses, SHDM Faria, RE Bruns The Journal of Physical Chemistry A 116 (31), 8238-8249, 2012 | 45 | 2012 |
| Machine learning of dynamic electron correlation energies from topological atoms JL McDonagh, AF Silva, MA Vincent, PLA Popelier Journal of chemical theory and computation 14 (1), 216-224, 2017 | 36 | 2017 |
| Contributions of IQA electron correlation in understanding the chemical bond and non-covalent interactions AF Silva, LJ Duarte, PLA Popelier Structural Chemistry, 1-13, 2020 | 30 | 2020 |
| A FFLUX Water Model: Flexible, Polarizable and with a Multipolar Description of Electrostatics ZE Hughes, E Ren, JCR Thacker, BCB Symons, AF Silva, PLA Popelier Journal of computational chemistry 41 (7), 619-628, 2019 | 25 | 2019 |
| Atomic charge transfer-counter polarization effects determine infrared CH intensities of hydrocarbons: a quantum theory of atoms in molecules model AF Silva, WE Richter, HGC Meneses, RE Bruns Physical Chemistry Chemical Physics 16 (42), 23224-23232, 2014 | 20 | 2014 |
| Characteristic infrared intensities of carbonyl stretching vibrations WE Richter, AF Silva, LN Vidal, RE Bruns Physical Chemistry Chemical Physics 18 (26), 17575-17585, 2016 | 19 | 2016 |
| Dynamic atomic contributions to infrared intensities of fundamental bands AF Silva, WE Richter, ABMS Bassi, RE Bruns Physical Chemistry Chemical Physics 17 (45), 30378-30388, 2015 | 19 | 2015 |
| An Interacting Quantum Atoms (IQA) and Relative Energy Gradient (REG) Study of the Halogen Bond with Explicit Analysis of Electron Correlation I Alkorta, AF Silva, PLA Popelier Molecules 25 (11), 2674, 2020 | 17 | 2020 |
| MP2-IQA: upscaling the analysis of topologically partitioned electron correlation AF Silva, PLA Popelier Journal of molecular modeling 24, 1-10, 2018 | 17 | 2018 |
| The effects of higher orders of perturbation theory on the correlation energy of atoms and bonds in molecules MA Vincent, AF Silva, JL McDonagh, PLA Popelier International Journal of Quantum Chemistry 118 (8), e25519, 2018 | 15 | 2018 |
| Review of experimental GAPT and infrared atomic charges in molecules WE Richter, LJ Duarte, AF Silva, RE Bruns Journal of the Brazilian Chemical Society 27, 979-991, 2016 | 15 | 2016 |
| An atom in molecules study of infrared intensity enhancements in fundamental donor stretching bands in hydrogen bond formation LA Terrabuio, WE Richter, AF Silva, RE Bruns, RLA Haiduke Physical Chemistry Chemical Physics 16 (45), 24920-24928, 2014 | 15 | 2014 |
| Infrared intensification and hydrogen bond stabilization: Beyond point charges LJ Duarte, AF Silva, WE Richter, RE Bruns The Journal of Physical Chemistry A 123 (30), 6482-6490, 2019 | 13 | 2019 |
| The transferability of topologically partitioned Electron correlation energies in water clusters AF Silva, MA Vincent, JL McDonagh, PLA Popelier ChemPhysChem 18 (23), 3360-3368, 2017 | 13 | 2017 |
| Quantum theory of atoms in molecules/charge-charge flux-dipole flux models for fundamental vibrational intensity changes on H-bond formation of water and hydrogen fluoride AF Silva, WE Richter, LA Terrabuio, RLA Haiduke, RE Bruns The Journal of Chemical Physics 140 (8), 2014 | 12 | 2014 |
| FTIR and dispersive gas phase fundamental infrared intensities of the fluorochloromethanes: Comparison with QCISD/cc-pVTZ results REB Leonardo J. Duarte, Arnaldo F. Silva, Wagner E. Richter Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 205, 269-275, 2018 | 11 | 2018 |
| Decomposition of Møller–Plesset energies within the quantum theory of atoms-in-molecules V Tognetti, AF Silva, MA Vincent, L Joubert, PLA Popelier The Journal of Physical Chemistry A 122 (38), 7748-7756, 2018 | 10 | 2018 |
| Atomic polarizations necessary for coherent infrared intensity modeling with theoretical calculations WE Richter, AF Silva, RE Bruns The Journal of Chemical Physics 146 (13), 2017 | 10 | 2017 |
| Quantum Theory of Atoms in Molecules/Charge–Charge Flux–Dipole Flux interpretation of fundamental vibrational intensity enhancements on H-bond formation of water trimer AF Silva, WE Richter, RE Bruns Chemical Physics Letters 610, 14-18, 2014 | 10 | 2014 |
Roy BrunsProfessor de quimica universidade estadual de campinas, Campinas, SP BrazilE-mail confirmado em iqm.unicamp.br
