Leonardo J Duarte

Publication Activity (10 Years)

Years Active: 2021-2023
Publications (10 Years): 6

Top Topics

Molecular Dynamics

Electron Microscopy

Top Venues

The journal of physical chemistry. A

Physical chemistry chemical physics : PCCP

Journal of chemical information and modeling

Journal of chemical theory and computation

This page only lists publications with an associated author ORCID identifier.

Publications

Leonardo J Duarte, Wagner Eduardo Richter, Roy Edward Bruns
Characteristic Substituent Effect Model for the Infrared Intensities of the X 2 CY (X = H, F, Cl, Br; Y = O, S) Molecules. The journal of physical chemistry. A (2023)
Leonardo J Duarte, Roy Edward Bruns
Energetic Origins of Force Constants: Adding a New Dimension to the Hessian Matrix via Interacting Quantum Atoms. The journal of physical chemistry. A 126 (48) (2022)
Arturo Sauza-de la Vega, Leonardo J Duarte, Arnaldo F Silva, Jonathan Michael Skelton, Tomás Rocha-Rinza, Paul L A Popelier
Towards an atomistic understanding of polymorphism in molecular solids. Physical chemistry chemical physics : PCCP 24 (18) (2022)
Leonardo J Duarte, Roy Edward Bruns
Electronic Distribution of S N 2 IRC and TS Structures: Infrared Intensities of Imaginary Frequencies. Journal of chemical theory and computation 18 (4) (2022)
Leonardo J Duarte, Wagner Eduardo Richter, Roy Edward Bruns, Paul L A Popelier
Electrostatics Explains the Reverse Lewis Acidity of BH3 and Boron Trihalides: Infrared Intensities and a Relative Energy Gradient (REG) Analysis of IQA Energies. The journal of physical chemistry. A 125 (39) (2021)
Wagner Eduardo Richter, Leonardo J Duarte, Roy Edward Bruns
Are "GAPT Charges" Really Just Charges? Journal of chemical information and modeling 61 (8) (2021)