Wagner Eduardo Richter, PhD
Affiliations: | 2016- | Department of Chemical Engineering | Technological Federal University of ParanĂ¡ |
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| Duarte LJ, Richter WE, Bruns RE. (2023) Characteristic Substituent Effect Model for the Infrared Intensities of the XCY (X = H, F, Cl, Br; Y = O, S) Molecules. The Journal of Physical Chemistry. A. 127: 3114-3122 |
| Richter WE. (2023) On the quest for a molecular vibration whose absolute intensity is described solely by fluctuations of atomic dipoles: Can we find it? Spectrochimica Acta. Part a, Molecular and Biomolecular Spectroscopy. 291: 122321 |
| Feitosa LF, Campos RB, Richter WE. (2022) Energetics and electronics of polar Diels-Alder reactions at the atomic level: QTAIM and IQA analyses of complete IRC paths. Journal of Molecular Graphics & Modelling. 118: 108326 |
| Richter WE, Duarte LJ. (2022) Infrared intensities of [Formula: see text]: a true challenge for DFT methods. Journal of Molecular Modeling. 28: 301 |
| Richter WE, Duarte LJ, Bruns RE. (2022) Unavoidable failure of point charge descriptions of electronic density changes for out-of-plane distortions. Spectrochimica Acta. Part a, Molecular and Biomolecular Spectroscopy. 271: 120891 |
| Duarte LJ, Richter WE, Bruns RE, et al. (2021) Electrostatics Explains the Reverse Lewis Acidity of BH and Boron Trihalides: Infrared Intensities and a Relative Energy Gradient (REG) Analysis of IQA Energies. The Journal of Physical Chemistry. A. 125: 8615-8625 |
| Richter WE, Duarte LJ, Bruns RE. (2021) Are "GAPT Charges" Really Just Charges? Journal of Chemical Information and Modeling |
| Richter WE, Duarte LJ, Vidal LN, et al. (2021) AC/DC Analysis: Broad and Comprehensive Approach to Analyze Infrared Intensities at the Atomic Level. The Journal of Physical Chemistry. A. 125: 3219-3229 |
| Richter WE, Duarte LJ, Bruns RE. (2020) Atomic charge and atomic dipole modeling of gas-phase infrared intensities of fundamental bands for out-of-plane CH and CF bending vibrations. Spectrochimica Acta. Part a, Molecular and Biomolecular Spectroscopy. 251: 119393 |
| Duarte LJ, Richter WE, Silva AF, et al. (2020) Quantum chemical intensity determinations of overlapped gas phase infrared bands. Spectrochimica Acta. Part a, Molecular and Biomolecular Spectroscopy. 230: 118067 |