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Jefferson Maul

Showing results (1-10 of 14) with videos related to

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The Journal of Physical Chemistry Letters|January 19, 2024
First-Principles Anharmonic Infrared and Raman Vibrational Spectra of Materials: Fermi Resonance in Dry IceDavide Mitoli, Jefferson Maul, Alessandro Erba
Chemical Communications (Cambridge, England)|December 17, 2015
Thermal properties of molecular crystals through dispersion-corrected quasi-harmonic ab initio calculations: the case of ureaAlessandro Erba, Jefferson Maul, Bartolomeo Civalleri
Physical Chemistry Chemical Physics : PCCP|April 14, 2015
Assessing thermochemical properties of materials through ab initio quantum-mechanical methods: the case of α-Al2O3Alessandro Erba, Jefferson Maul, Raffaella Demichelis, et al.
Physical Chemistry Chemical Physics : PCCP|November 6, 2019
Elucidating the structure and dynamics of CO ad-layers on MgO surfacesJefferson Maul, Giuseppe Spoto, Lorenzo Mino, et al.
Journal of Chemical Theory and Computation|June 23, 2022
Anharmonic Coupling of Stretching Vibrations in Ice: A Periodic VSCF and VCI DescriptionRaymond G Schireman, Jefferson Maul, Alessandro Erba, et al.
The Journal of Physical Chemistry Letters|September 24, 2020
Thermoelasticity of Flexible Organic Crystals from Quasi-harmonic Lattice Dynamics: The Case of Copper(II) AcetylacetonateJefferson Maul, Daniele Ongari, Seyed Mohamad Moosavi, et al.
Journal of Chemical Theory and Computation|May 1, 2019
Anharmonic Vibrational States of Solids from DFT Calculations. Part I: Description of the Potential Energy SurfaceAlessandro Erba, Jefferson Maul, Matteo Ferrabone, et al.
Journal of Chemical Theory and Computation|May 1, 2019
Anharmonic Vibrational States of Solids from DFT Calculations. Part II: Implementation of the VSCF and VCI MethodsAlessandro Erba, Jefferson Maul, Matteo Ferrabone, et al.
Applied Optics|December 1, 2023
Photoelasticity of CNGS crystalsBohdan Mytsyk, Alessandro Erba, Jefferson Maul, et al.
Physical Review Letters|July 12, 2024
Spin Currents via the Gauge Principle for Meta-Generalized Gradient Exchange-Correlation FunctionalsJacques K Desmarais, Jefferson Maul, Bartolomeo Civalleri, et al.
Pageof 2

Showing results (1-10 of 14) with videos related to

Sort By:
Pageof 2
The Journal of Physical Chemistry Letters|January 19, 2024
First-Principles Anharmonic Infrared and Raman Vibrational Spectra of Materials: Fermi Resonance in Dry IceDavide Mitoli, Jefferson Maul, Alessandro Erba
Chemical Communications (Cambridge, England)|December 17, 2015
Thermal properties of molecular crystals through dispersion-corrected quasi-harmonic ab initio calculations: the case of ureaAlessandro Erba, Jefferson Maul, Bartolomeo Civalleri
Physical Chemistry Chemical Physics : PCCP|April 14, 2015
Assessing thermochemical properties of materials through ab initio quantum-mechanical methods: the case of α-Al2O3Alessandro Erba, Jefferson Maul, Raffaella Demichelis, et al.
Physical Chemistry Chemical Physics : PCCP|November 6, 2019
Elucidating the structure and dynamics of CO ad-layers on MgO surfacesJefferson Maul, Giuseppe Spoto, Lorenzo Mino, et al.
Journal of Chemical Theory and Computation|June 23, 2022
Anharmonic Coupling of Stretching Vibrations in Ice: A Periodic VSCF and VCI DescriptionRaymond G Schireman, Jefferson Maul, Alessandro Erba, et al.
The Journal of Physical Chemistry Letters|September 24, 2020
Thermoelasticity of Flexible Organic Crystals from Quasi-harmonic Lattice Dynamics: The Case of Copper(II) AcetylacetonateJefferson Maul, Daniele Ongari, Seyed Mohamad Moosavi, et al.
Journal of Chemical Theory and Computation|May 1, 2019
Anharmonic Vibrational States of Solids from DFT Calculations. Part I: Description of the Potential Energy SurfaceAlessandro Erba, Jefferson Maul, Matteo Ferrabone, et al.
Journal of Chemical Theory and Computation|May 1, 2019
Anharmonic Vibrational States of Solids from DFT Calculations. Part II: Implementation of the VSCF and VCI MethodsAlessandro Erba, Jefferson Maul, Matteo Ferrabone, et al.
Applied Optics|December 1, 2023
Photoelasticity of CNGS crystalsBohdan Mytsyk, Alessandro Erba, Jefferson Maul, et al.
Physical Review Letters|July 12, 2024
Spin Currents via the Gauge Principle for Meta-Generalized Gradient Exchange-Correlation FunctionalsJacques K Desmarais, Jefferson Maul, Bartolomeo Civalleri, et al.
Pageof 2