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Spectrochimica 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 27, 2022
Unavoidable failure of point charge descriptions of electronic density changes for out-of-plane distortionsWagner E Richter, Leonardo J Duarte, Roy E BrunsJournal 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|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 BrunsAnalytica Chimica Acta|April 1, 2008
Statistical mixture design--varimax factor optimization for selective compound extraction from plant materialPatrícia Kaori Soares, Roy E Bruns, Ieda S ScarminioAnalytica Chimica Acta|August 29, 2007
Statistical design-principal component analysis optimization of a multiple response procedure using cloud point extraction and simultaneous determination of metals by ICP OESMarcos A Bezerra, Roy E Bruns, Sergio L C FerreiraJournal of Chromatography. A|January 27, 2009
Combined column-mobile phase mixture statistical design optimization of high-performance liquid chromatographic analysis of multicomponent systemsMárcia C Breitkreitz, Isabel C S F Jardim, Roy E BrunsThe Journal of Physical Chemistry. A|April 8, 2006
QTAIM charge-charge flux-dipole flux models for the infrared fundamental intensities of the fluorochloromethanesJoão Viçozo da Silva, Roberto L A Haiduke, 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.Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy|July 21, 2018
FTIR and dispersive gas phase fundamental infrared intensities of the fluorochloromethanes: Comparison with QCISD/cc-pVTZ resultsLeonardo J Duarte, Arnaldo F Silva, Wagner E Richter, et al.Pageof 6