| 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 |
Delayed Coker Coke Characterization: Correlation between Process Conditions, Coke Composition, and Morphology
Zambrano NP, Duarte LJ, Poyeda-Jaramillo JC, Picon HJ, Ortega FM, Nino-Gomez ME
Energy & Fuels, 32(3), 2722, 2018 |
| 4 |
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 |
| 5 |
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 |
| 6 |
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 |
| 7 |
Effect of support modifications for CoMo/gamma-Al2O3 and CoMo/ASA catalysts in the hydrodeoxygenation of guaiacol
Mora ID, Mendez E, Duarte LJ, Giraldo SA
Applied Catalysis A: General, 474, 59, 2014 |
