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Giuseppe Mallia

Showing results (1-10 of 16) with videos related to

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The Journal of Chemical Physics|September 16, 2024
A prediction of high temperature magnetic coupling in transition metal phthalocyaninesJames Broadhurst, Giuseppe Mallia, Nicholas Harrison
The Journal of Chemical Physics|June 25, 2025
The quantum origin of magnetic coupling in molecular crystals for spintronicsJames Broadhurst, Giuseppe Mallia, Nicholas Harrison
The Journal of Physical Chemistry. C, Nanomaterials and Interfaces|November 25, 2022
Strain-Tuneable Magnetism and Spintronics of Distorted Monovacancies in GrapheneHuanyu Zhou, Giuseppe Mallia, Nicholas M Harrison
Materials Horizons|May 14, 2025
<i>Ab initio</i> simulation of molecular crystal regrowth of paracetamol from solutionHuanyu Zhou, Giuseppe Mallia, Nicholas M Harrison
Journal of Chemical Theory and Computation|October 1, 2025
Influences of Basis Set and Electronic Exchange-Correlation on Low-Frequency Vibrations and Stability of Paracetamol PolymorphsHuanyu Zhou, Giuseppe Mallia, Nicholas M Harrison
Chemical Communications (Cambridge, England)|March 11, 2011
An alternative approach for the calculation of correlation energy in periodic systems: a hybrid MP2(B3LYP) study of the He-MgO(100) interactionRuth Martinez-Casado, Giuseppe Mallia, Nicholas M Harrison
Journal of Computational Chemistry|June 27, 2003
Implementation of the finite field perturbation method in the CRYSTAL program for calculating the dielectric constant of periodic systemsClovis Darrigan, Michel Rérat, Giuseppe Mallia, et al.
Chemical Communications (Cambridge, England)|September 29, 2011
Ab initio calculation of the MgO(100) interaction with He and Ne: a HF + MP2 and HF + MP2(B3LYP) comparisonRuth Martinez-Casado, Giuseppe Mallia, Nicholas M Harrison
ACS Omega|March 14, 2022
Monomolecular Cracking of Propane: Effect of Zeolite Confinement and AcidityZainab A Alaithan, Giuseppe Mallia, Nicholas M Harrison
The Journal of Physical Chemistry Letters|March 21, 2018
Unravelling Some of the Structure-Property Relationships in Graphene Oxide at Low Degree of OxidationFilippo Savazzi, Francesca Risplendi, Giuseppe Mallia, et al.
Pageof 2

Showing results (1-10 of 16) with videos related to

Sort By:
Pageof 2
The Journal of Chemical Physics|September 16, 2024
A prediction of high temperature magnetic coupling in transition metal phthalocyaninesJames Broadhurst, Giuseppe Mallia, Nicholas Harrison
The Journal of Chemical Physics|June 25, 2025
The quantum origin of magnetic coupling in molecular crystals for spintronicsJames Broadhurst, Giuseppe Mallia, Nicholas Harrison
The Journal of Physical Chemistry. C, Nanomaterials and Interfaces|November 25, 2022
Strain-Tuneable Magnetism and Spintronics of Distorted Monovacancies in GrapheneHuanyu Zhou, Giuseppe Mallia, Nicholas M Harrison
Materials Horizons|May 14, 2025
<i>Ab initio</i> simulation of molecular crystal regrowth of paracetamol from solutionHuanyu Zhou, Giuseppe Mallia, Nicholas M Harrison
Journal of Chemical Theory and Computation|October 1, 2025
Influences of Basis Set and Electronic Exchange-Correlation on Low-Frequency Vibrations and Stability of Paracetamol PolymorphsHuanyu Zhou, Giuseppe Mallia, Nicholas M Harrison
Chemical Communications (Cambridge, England)|March 11, 2011
An alternative approach for the calculation of correlation energy in periodic systems: a hybrid MP2(B3LYP) study of the He-MgO(100) interactionRuth Martinez-Casado, Giuseppe Mallia, Nicholas M Harrison
Journal of Computational Chemistry|June 27, 2003
Implementation of the finite field perturbation method in the CRYSTAL program for calculating the dielectric constant of periodic systemsClovis Darrigan, Michel Rérat, Giuseppe Mallia, et al.
Chemical Communications (Cambridge, England)|September 29, 2011
Ab initio calculation of the MgO(100) interaction with He and Ne: a HF + MP2 and HF + MP2(B3LYP) comparisonRuth Martinez-Casado, Giuseppe Mallia, Nicholas M Harrison
ACS Omega|March 14, 2022
Monomolecular Cracking of Propane: Effect of Zeolite Confinement and AcidityZainab A Alaithan, Giuseppe Mallia, Nicholas M Harrison
The Journal of Physical Chemistry Letters|March 21, 2018
Unravelling Some of the Structure-Property Relationships in Graphene Oxide at Low Degree of OxidationFilippo Savazzi, Francesca Risplendi, Giuseppe Mallia, et al.
Pageof 2