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Journal of Molecular Modeling|July 12, 2018
MP2-IQA: upscaling the analysis of topologically partitioned electron correlationArnaldo F Silva, Paul L A PopelierThe Journal of Chemical Physics|April 10, 2017
Atomic polarizations necessary for coherent infrared intensity modeling with theoretical calculationsWagner E Richter, Arnaldo F Silva, Roy E BrunsMolecules (Basel, Switzerland)|June 13, 2020
An Interacting Quantum Atoms (IQA) and Relative Energy Gradient (REG) Study of the Halogen Bond with Explicit Analysis of Electron CorrelationIbon Alkorta, Arnaldo F Silva, Paul L A PopelierJournal of Molecular Modeling|July 1, 2018
Probing the robustness of the charge-charge transfer-dipolar polarization model and infrared intensitiesArnaldo F Silva, Leonardo J Duarte, Roy E BrunsThe Journal of Physical Chemistry. A|October 1, 2016
QTAIM-Based Characteristic Group Infrared Intensities of Amino Acids and Their Transference to PeptidesArnaldo F Silva, Leonardo J Duarte, Roy E BrunsJournal of Computational Chemistry|August 3, 2019
Atomic Partitioning of the MPn (n = 2, 3, 4) Dynamic Electron Correlation Energy by the Interacting Quantum Atoms Method: A Fast and Accurate Electrostatic Potential Integral ApproachMark A Vincent, Arnaldo F Silva, Paul L A PopelierSpectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy|January 21, 2020
Quantum chemical intensity determinations of overlapped gas phase infrared bandsLeonardo J Duarte, Wagner E Richter, Arnaldo F Silva, et al.Physical Chemistry Chemical Physics : PCCP|June 17, 2016
Characteristic infrared intensities of carbonyl stretching vibrationsWagner E Richter, Arnaldo F Silva, Luciano N Vidal, et al.The Journal of Physical Chemistry. A|October 3, 2017
Quantum Theory of Atoms in Molecules Charge-Charge Transfer-Dipolar Polarization Classification of Infrared IntensitiesLeonardo J Duarte, Wagner E Richter, Arnaldo F Silva, et al.The Journal of Physical Chemistry. A|July 6, 2019
Infrared Intensification and Hydrogen Bond Stabilization: Beyond Point ChargesLeonardo J Duarte, Arnaldo F Silva, Wagner E Richter, et al.Pageof 3