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Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy|April 20, 2016
Revisiting the integrated infrared intensities and atomic polar tensors of the boron trihalidesWagner E Richter, Roy E BrunsThe Journal of Physical Chemistry. A|November 30, 2018
Atomic Polarizations, Not Charges, Determine CH Out-of-Plane Bending Intensities of Benzene MoleculesLeonardo J Duarte, Roy E BrunsSpectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy|February 12, 2019
FTIR and dispersive gas phase absolute infrared intensities of hydrocarbon fundamental bandsLeonardo J Duarte, Roy E BrunsJournal of Chemical Theory and Computation|March 8, 2022
Electronic Distribution of SN2 IRC and TS Structures: Infrared Intensities of Imaginary FrequenciesLeonardo J Duarte, Roy E BrunsThe Journal of Physical Chemistry. A|November 23, 2022
Energetic Origins of Force Constants: Adding a New Dimension to the Hessian Matrix via Interacting Quantum AtomsLeonardo J Duarte, Roy E BrunsThe Journal of Physical Chemistry. A|April 7, 2020
QTAIM Atomic Charge and Polarization Parameters and Their Machine-Learning Transference among Boron-Halide MoleculesLeonardo J Duarte, Roy E BrunsThe Journal of Physical Chemistry. A|July 13, 2006
An atomic charge-charge flux-dipole flux atom-in-molecule decomposition for molecular dipole-moment derivatives and infrared fundamental intensitiesRoberto L A Haiduke, Roy E BrunsThe 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 BrunsJournal of Chemical Information and Modeling|July 29, 2021
Are "GAPT Charges" Really Just Charges?Wagner E Richter, 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 BrunsPageof 6