Jefferson Maul

8PUBLICATIONS
17CO-AUTHORS
Theoretical quantum chemistryCondensed matter modelling and density functional theoryComputational methods in fluid flow, heat and mass transfer (incl. computational fluid dynamics)Acoustics and acoustical devices; wavesNonlinear optics and spectroscopy
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Publications (8)

|Mar 10, 2025
Anharmonic Vibrational States of Double-Well Potentials in the Solid State from DFT Calculations.

Davide Mitoli, Maria Petrov, Jefferson Maul

|Jul 15, 2024
Unveiling the Role of Spin Currents on the Giant Rashba Splitting in Single-Layer WSe2.

Alberto Boccuni, Bárbara Maria Teixeira Costa Peluzo, Filippo Bodo

|Jan 19, 2024
First-Principles Anharmonic Infrared and Raman Vibrational Spectra of Materials: Fermi Resonance in Dry Ice.

Davide Mitoli, Jefferson Maul, Alessandro Erba

|Jun 23, 2022
Anharmonic Coupling of Stretching Vibrations in Ice: A Periodic VSCF and VCI Description.

Raymond G Schireman, Jefferson Maul, Alessandro Erba

|Sep 24, 2020
Thermoelasticity of Flexible Organic Crystals from Quasi-harmonic Lattice Dynamics: The Case of Copper(II) Acetylacetonate.

Jefferson Maul, Daniele Ongari, Seyed Mohamad Moosavi

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