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Alessandro Erba

Showing results (21-30 of 58) with videos related to

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Physical Review Letters|March 28, 2025
Meta-Generalized Gradient Approximation Made MagneticJacques K Desmarais, Alessandro Erba, Giovanni Vignale, 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.
Physical Chemistry Chemical Physics : PCCP|November 5, 2015
Origins of contrasting copper coordination geometries in crystalline copper sulfate pentahydrateMichael T Ruggiero, Alessandro Erba, Roberto Orlando, et al.
Physical Chemistry Chemical Physics : PCCP|December 22, 2015
Raman spectroscopic features of the neutral vacancy in diamond from ab initio quantum-mechanical calculationsJacopo Baima, Alessandro Zelferino, Paolo Olivero, et al.
The Journal of Chemical Physics|February 26, 2009
Periodic density functional theory and local-MP2 study of the librational modes of Ice XIAlessandro Erba, Silvia Casassa, Roberto Dovesi, et al.
Journal of Computational Chemistry|December 10, 2016
Nuclear-relaxed elastic and piezoelectric constants of materials: Computational aspects of two quantum-mechanical approachesAlessandro Erba, Dominique Caglioti, Claudio Marcelo Zicovich-Wilson, et al.
The Journal of Chemical Physics|July 9, 2021
Spin-orbit coupling from a two-component self-consistent approach. II. Non-collinear density functional theoriesJacques K Desmarais, Stanislav Komorovsky, Jean-Pierre Flament, et al.
Journal of Chemical Theory and Computation|July 21, 2021
Perturbation Theory Treatment of Spin-Orbit Coupling, Part I: Double Perturbation Theory Based on a Single-Reference Initial ApproximationJacques K Desmarais, Alessandro Erba, Jean-Pierre Flament, et al.
Journal of Chemical Theory and Computation|July 21, 2021
Perturbation Theory Treatment of Spin-Orbit Coupling II: A Coupled Perturbed Kohn-Sham MethodJacques K Desmarais, Alessandro Erba, Jean-Pierre Flament, et al.
The Journal of Physical Chemistry Letters|February 12, 2021
Charge Density Analysis of Actinide Compounds from the Quantum Theory of Atoms in Molecules and CrystalsAlessandro Cossard, Jacques K Desmarais, Silvia Casassa, et al.
Pageof 6

Showing results (21-30 of 58) with videos related to

Sort By:
Pageof 6
Physical Review Letters|March 28, 2025
Meta-Generalized Gradient Approximation Made MagneticJacques K Desmarais, Alessandro Erba, Giovanni Vignale, 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.
Physical Chemistry Chemical Physics : PCCP|November 5, 2015
Origins of contrasting copper coordination geometries in crystalline copper sulfate pentahydrateMichael T Ruggiero, Alessandro Erba, Roberto Orlando, et al.
Physical Chemistry Chemical Physics : PCCP|December 22, 2015
Raman spectroscopic features of the neutral vacancy in diamond from ab initio quantum-mechanical calculationsJacopo Baima, Alessandro Zelferino, Paolo Olivero, et al.
The Journal of Chemical Physics|February 26, 2009
Periodic density functional theory and local-MP2 study of the librational modes of Ice XIAlessandro Erba, Silvia Casassa, Roberto Dovesi, et al.
Journal of Computational Chemistry|December 10, 2016
Nuclear-relaxed elastic and piezoelectric constants of materials: Computational aspects of two quantum-mechanical approachesAlessandro Erba, Dominique Caglioti, Claudio Marcelo Zicovich-Wilson, et al.
The Journal of Chemical Physics|July 9, 2021
Spin-orbit coupling from a two-component self-consistent approach. II. Non-collinear density functional theoriesJacques K Desmarais, Stanislav Komorovsky, Jean-Pierre Flament, et al.
Journal of Chemical Theory and Computation|July 21, 2021
Perturbation Theory Treatment of Spin-Orbit Coupling, Part I: Double Perturbation Theory Based on a Single-Reference Initial ApproximationJacques K Desmarais, Alessandro Erba, Jean-Pierre Flament, et al.
Journal of Chemical Theory and Computation|July 21, 2021
Perturbation Theory Treatment of Spin-Orbit Coupling II: A Coupled Perturbed Kohn-Sham MethodJacques K Desmarais, Alessandro Erba, Jean-Pierre Flament, et al.
The Journal of Physical Chemistry Letters|February 12, 2021
Charge Density Analysis of Actinide Compounds from the Quantum Theory of Atoms in Molecules and CrystalsAlessandro Cossard, Jacques K Desmarais, Silvia Casassa, et al.
Pageof 6