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Leonardo J Duarte

Showing results (1-10 of 23) with videos related to

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The 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 Bruns
The 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 Bruns
The 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 Bruns
Spectrochimica 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 Bruns
Journal of Chemical Theory and Computation|March 8, 2022
Electronic Distribution of S<sub>N</sub>2 IRC and TS Structures: Infrared Intensities of Imaginary FrequenciesLeonardo J Duarte, Roy E Bruns
Journal of Molecular Modeling|September 6, 2022
Infrared intensities of <math> </math>: a true challenge for DFT methodsWagner E Richter, Leonardo J Duarte
Journal of Chemical Information and Modeling|July 29, 2021
Are "GAPT Charges" Really Just Charges?Wagner E Richter, Leonardo J Duarte, Roy E Bruns
The 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 Bruns
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 Bruns
Spectrochimica 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 Bruns
Pageof 3

Showing results (1-10 of 23) with videos related to

Sort By:
Pageof 3
The 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 Bruns
The 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 Bruns
The 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 Bruns
Spectrochimica 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 Bruns
Journal of Chemical Theory and Computation|March 8, 2022
Electronic Distribution of S<sub>N</sub>2 IRC and TS Structures: Infrared Intensities of Imaginary FrequenciesLeonardo J Duarte, Roy E Bruns
Journal of Molecular Modeling|September 6, 2022
Infrared intensities of <math> </math>: a true challenge for DFT methodsWagner E Richter, Leonardo J Duarte
Journal of Chemical Information and Modeling|July 29, 2021
Are "GAPT Charges" Really Just Charges?Wagner E Richter, Leonardo J Duarte, Roy E Bruns
The 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 Bruns
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 Bruns
Spectrochimica 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 Bruns
Pageof 3