| 1 |
QTAIM Atomic Charge and Polarization Parameters and Their Machine-Learning Transference among Boron-Halide Molecules
Duarte LJ, Bruns RE
Journal of Physical Chemistry A, 124(17), 3407, 2020 |
| 2 |
Infrared Intensification and Hydrogen Bond Stabilization: Beyond Point Charges
Duarte LJ, Silva AF, Richter WE, Bruns RE
Journal of Physical Chemistry A, 123(30), 6482, 2019 |
| 3 |
Atomic Polarizations, Not Charges, Determine CH Out-of-Plane Bending Intensities of Benzene Molecules
Duarte LJ, Bruns RE
Journal of Physical Chemistry A, 122(51), 9833, 2018 |
| 4 |
Quantum Theory of Atoms in Molecules Charge-Charge Transfer-Dipolar Polarization Classification of Infrared Intensities
Duarte LJ, Richter WE, Silva AF, Bruns RE
Journal of Physical Chemistry A, 121(42), 8115, 2017 |
| 5 |
QTAIM-Based Characteristic Group Infrared Intensities of Amino Acids and Their Transference to Peptides
Silva AF, Duarte LJ, Bruns RE
Journal of Physical Chemistry A, 120(42), 8387, 2016 |
| 6 |
Quantum Theory of Atoms in Molecules/Charge-Charge Flux-Dipole Flux interpretation of fundamental vibrational intensity enhancements on H-bond formation of water trimer
Silva AF, Richter WE, Bruns RE
Chemical Physics Letters, 610, 14, 2014 |
| 7 |
QTAIM Charge-Charge Flux-Dipole Flux Interpretation of Electronegativity and Potential Models of the Fluorochloromethane Mean Dipole Moment Derivatives
Silva AF, da Silva JV, Haiduke RLA, Bruns RE
Journal of Physical Chemistry A, 115(45), 12572, 2011 |
| 8 |
STATISTICAL DESIGN OF EXPERIMENTS FOR OPTIMIZATION OF BATCH ADSORPTION CONDITIONS FOR REMOVAL OF REACTIVE RED 194 TEXTILE DYE FROM AQUEOUS EFFLUENTS
Royer B, Lima EC, Cardoso NF, Calvete T, Bruns RE
Chemical Engineering Communications, 197(5), 775, 2010 |
| 9 |
Quantum Theory Atoms in Molecules Charge-Charge Flux-Dipole Flux Models for the Infrared Intensities of Benzene and Hexafluorobenzene
da Silva JV, Oliveira AE, Hase Y, Bruns RE
Journal of Physical Chemistry A, 113(27), 7972, 2009 |
| 10 |
Factorial design preparation of transparent conducting oxide thin films
Ronconi CM, Alves OL, Bruns RE
Thin Solid Films, 517(9), 2886, 2009 |
