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Leonardo J Duarte

Showing results (11-20 of 23) with videos related to

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Journal 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 Bruns
Molecules (Basel, Switzerland)|August 12, 2022
An Interacting Quantum Atoms (IQA) and Relative Energy Gradient (REG) Analysis of the Anomeric EffectDanish Khan, Leonardo J Duarte, Paul L A Popelier
The Journal of Physical Chemistry. A|April 3, 2023
Characteristic Substituent Effect Model for the Infrared Intensities of the X<sub>2</sub>CY (X = H, F, Cl, Br; Y = O, S) MoleculesLeonardo J Duarte, Wagner E Richter, Roy E Bruns
The Journal of Physical Chemistry. A|July 7, 2025
Energetic Origins of the Hydrogen-Bond Redshift: IQA Partitioning of Normal Mode Force ConstantsLeonardo J Duarte, Erick H S Alves, Ataualpa A C Braga
Physical Chemistry Chemical Physics : PCCP|January 29, 2025
A protocol for the investigation of the intramolecular vibrational energy redistribution problem: the isomerization of nitrous acid as a case of studyLeonardo J Duarte, Cláudio M Nunes, Rui Fausto, 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.
The Journal of Physical Chemistry. A|October 3, 2017
Quantum Theory of Atoms in Molecules Charge-Charge Transfer-Dipolar Polarization Classification of Infrared IntensitiesLeonardo J Duarte, Wagner E Richter, Arnaldo F Silva, et al.
The Journal of Physical Chemistry. A|July 6, 2019
Infrared Intensification and Hydrogen Bond Stabilization: Beyond Point ChargesLeonardo J Duarte, Arnaldo F Silva, Wagner E Richter, et al.
The Journal of Physical Chemistry. A|April 13, 2021
AC/DC Analysis: Broad and Comprehensive Approach to Analyze Infrared Intensities at the Atomic LevelWagner E Richter, Leonardo J Duarte, Luciano N Vidal, et al.
Spectrochimica 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.
Pageof 3

Showing results (11-20 of 23) with videos related to

Sort By:
Pageof 3
Journal 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 Bruns
Molecules (Basel, Switzerland)|August 12, 2022
An Interacting Quantum Atoms (IQA) and Relative Energy Gradient (REG) Analysis of the Anomeric EffectDanish Khan, Leonardo J Duarte, Paul L A Popelier
The Journal of Physical Chemistry. A|April 3, 2023
Characteristic Substituent Effect Model for the Infrared Intensities of the X<sub>2</sub>CY (X = H, F, Cl, Br; Y = O, S) MoleculesLeonardo J Duarte, Wagner E Richter, Roy E Bruns
The Journal of Physical Chemistry. A|July 7, 2025
Energetic Origins of the Hydrogen-Bond Redshift: IQA Partitioning of Normal Mode Force ConstantsLeonardo J Duarte, Erick H S Alves, Ataualpa A C Braga
Physical Chemistry Chemical Physics : PCCP|January 29, 2025
A protocol for the investigation of the intramolecular vibrational energy redistribution problem: the isomerization of nitrous acid as a case of studyLeonardo J Duarte, Cláudio M Nunes, Rui Fausto, 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.
The Journal of Physical Chemistry. A|October 3, 2017
Quantum Theory of Atoms in Molecules Charge-Charge Transfer-Dipolar Polarization Classification of Infrared IntensitiesLeonardo J Duarte, Wagner E Richter, Arnaldo F Silva, et al.
The Journal of Physical Chemistry. A|July 6, 2019
Infrared Intensification and Hydrogen Bond Stabilization: Beyond Point ChargesLeonardo J Duarte, Arnaldo F Silva, Wagner E Richter, et al.
The Journal of Physical Chemistry. A|April 13, 2021
AC/DC Analysis: Broad and Comprehensive Approach to Analyze Infrared Intensities at the Atomic LevelWagner E Richter, Leonardo J Duarte, Luciano N Vidal, et al.
Spectrochimica 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.
Pageof 3