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Alessandro Erba

Showing results (1-10 of 58) with videos related to

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Physical Chemistry Chemical Physics : PCCP|May 7, 2016
The internal-strain tensor of crystals for nuclear-relaxed elastic and piezoelectric constants: on the full exploitation of its symmetry featuresAlessandro Erba
Journal of Computational Chemistry|January 27, 2012
Evaluation of the electron momentum density of crystalline systems from Ab initio linear combination of atomic orbitals calculationsAlessandro Erba, Cesare Pisani
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
The Journal of Chemical Physics|November 17, 2019
Negative thermal expansion of Cu<sub>2</sub>O studied by quasi-harmonic approximation and cubic force-constant methodJarno Linnera, Alessandro Erba, Antti J Karttunen
The Journal of Chemical Physics|August 24, 2019
Spin-orbit coupling from a two-component self-consistent approach. II. Non-collinear density functional theoriesJacques K Desmarais, Jean-Pierre Flament, Alessandro Erba
The Journal of Physical Chemistry. B|February 10, 2009
DFT and local-MP2 periodic study of the structure and stability of two proton-ordered polymorphs of iceAlessandro Erba, Silvia Casassa, Lorenzo Maschio, 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.
The Journal of Chemical Physics|August 3, 2012
Nuclear motion effects on the density matrix of crystals: an ab initio Monte Carlo harmonic approachCesare Pisani, Alessandro Erba, Matteo Ferrabone, et al.
Journal of Computational Chemistry|October 20, 2012
Accurate dynamical structure factors from ab initio lattice dynamics: the case of crystalline siliconAlessandro Erba, Matteo Ferrabone, Roberto Orlando, et al.
Pageof 6

Showing results (1-10 of 58) with videos related to

Sort By:
Pageof 6
Physical Chemistry Chemical Physics : PCCP|May 7, 2016
The internal-strain tensor of crystals for nuclear-relaxed elastic and piezoelectric constants: on the full exploitation of its symmetry featuresAlessandro Erba
Journal of Computational Chemistry|January 27, 2012
Evaluation of the electron momentum density of crystalline systems from Ab initio linear combination of atomic orbitals calculationsAlessandro Erba, Cesare Pisani
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
The Journal of Chemical Physics|November 17, 2019
Negative thermal expansion of Cu<sub>2</sub>O studied by quasi-harmonic approximation and cubic force-constant methodJarno Linnera, Alessandro Erba, Antti J Karttunen
The Journal of Chemical Physics|August 24, 2019
Spin-orbit coupling from a two-component self-consistent approach. II. Non-collinear density functional theoriesJacques K Desmarais, Jean-Pierre Flament, Alessandro Erba
The Journal of Physical Chemistry. B|February 10, 2009
DFT and local-MP2 periodic study of the structure and stability of two proton-ordered polymorphs of iceAlessandro Erba, Silvia Casassa, Lorenzo Maschio, 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.
The Journal of Chemical Physics|August 3, 2012
Nuclear motion effects on the density matrix of crystals: an ab initio Monte Carlo harmonic approachCesare Pisani, Alessandro Erba, Matteo Ferrabone, et al.
Journal of Computational Chemistry|October 20, 2012
Accurate dynamical structure factors from ab initio lattice dynamics: the case of crystalline siliconAlessandro Erba, Matteo Ferrabone, Roberto Orlando, et al.
Pageof 6