| 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 |
| Evaluation of bioative compounds and antioxidant activity of extracts of black mulberry leaves (Morus nigra L.) using experimental design. K Schafransk, MP Postigo, L Vitali, GA Micke, WE Richter, ES Chaves | 21* | 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 |
| Are “GAPT charges” really just charges? WE Richter, LJ Duarte, RE Bruns Journal of chemical information and modeling 61 (8), 3881-3890, 2021 | 16 | 2021 |
| 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 |
| 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 LJ Duarte, AF Silva, WE Richter, RE Bruns Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 205, 269-275, 2018 | 11 | 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 |
| Computation of 3JHH coupling constants with a combination of density functional theory and semiempirical calculations. Application to complex molecules WE Richter, RM Pontes, LA Abiko, GF Gauze, EA Basso Computational and Theoretical Chemistry 1001, 7-14, 2012 | 10 | 2012 |
| Electrostatics Explains the Reverse Lewis Acidity of BH3 and Boron Trihalides: Infrared Intensities and a Relative Energy Gradient (REG) Analysis of IQA Energies LJ Duarte, WE Richter, RE Bruns, PLA Popelier The Journal of Physical Chemistry A 125 (39), 8615-8625, 2021 | 9 | 2021 |
| Levels of theory modifications and their effects on 1JCH SSCCs calculations: A factorial design analysis WE Richter, TC Rozada, EA Basso, RM Pontes, GF Gauze Computational and Theoretical Chemistry 964 (1-3), 116-120, 2011 | 9 | 2011 |
| Imagining a teaching utopia S Srivastava, AB Heim, R Yoho, EB Moore, WE Richter, W Strielkowski, ... Science 374 (6563), 31-32, 2021 | 8 | 2021 |
| Atomic charge and atomic dipole modeling of gas-phase infrared intensities of fundamental bands for out-of-plane CH and CF bending vibrations WE Richter, LJ Duarte, RE Bruns Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 251, 119393, 2021 | 7 | 2021 |
| QTAIM charge–charge flux–dipole flux models for the fundamental infrared intensities of BF3 and BCl3 WE Richter, AF Silva, ACL Pitoli, PAM Vazquez, RE Bruns Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 116, 136-142, 2013 | 7 | 2013 |
| Unavoidable failure of point charge descriptions of electronic density changes for out-of-plane distortions WE Richter, LJ Duarte, RE Bruns Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 271, 120891, 2022 | 6 | 2022 |
Roy BrunsProfessor de quimica universidade estadual de campinas, Campinas, SP BrazilE-mail confirmado em iqm.unicamp.br
