publicações selecionadas
- Atomic charge and atomic dipole modeling of gas-phase infrared intensities of fundamental bands for out-of-plane CH and CF bending vibrations
- Quantum chemical intensity determinations of overlapped gas phase infrared bands
- Characteristic Substituent Effect Model for the Infrared Intensities of the X 2 CY (X = H, F, Cl, Br; Y = O, S) Molecules
- AC/DC Analysis: Broad and Comprehensive Approach to Analyze Infrared Intensities at the Atomic Level
- Infrared intensities of $$(B_{6}C)^{2-}$$: a true challenge for DFT methods
- Electrostatics Explains the Reverse Lewis Acidity of BH 3 and Boron Trihalides: Infrared Intensities and a Relative Energy Gradient (REG) Analysis of IQA Energies
- Are -GAPT Charges- Really Just Charges?
- Revisiting the negative dipole moment derivatives of HNgX molecules
- Unavoidable failure of point charge descriptions of electronic density changes for out-of-plane distortions