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Journal of Molecular Modeling|September 6, 2022
Infrared intensities of : a true challenge for DFT methodsWagner E Richter, Leonardo J DuarteSpectrochimica 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 Chemical Physics|April 10, 2017
Atomic polarizations necessary for coherent infrared intensity modeling with theoretical calculationsWagner E Richter, Arnaldo F Silva, Roy E BrunsSpectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy|January 27, 2022
Unavoidable failure of point charge descriptions of electronic density changes for out-of-plane distortionsWagner E Richter, Leonardo J Duarte, Roy E BrunsThe Journal of Physical Chemistry. A|April 3, 2023
Characteristic Substituent Effect Model for the Infrared Intensities of the X2CY (X = H, F, Cl, Br; Y = O, S) MoleculesLeonardo J Duarte, Wagner E Richter, 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 BrunsSpectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy|January 15, 2021
Atomic charge and atomic dipole modeling of gas-phase infrared intensities of fundamental bands for out-of-plane CH and CF bending vibrationsWagner E Richter, Leonardo J Duarte, Roy E BrunsSpectrochimica 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.Organic & Biomolecular Chemistry|May 2, 2023
Substituent effects on intramolecular Schmidt reactions: a theoretical study on the formation of bridged lactamsGuilherme L Kosteczka, Rafael N Soek, Wagner E Richter, 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.Pageof 3