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Publications by Bartolomeo Civalleri

Identifying the Role of Terahertz Vibrations in Metal-Organic Frameworks: From Gate-Opening Phenomenon to Shear-Driven Structural Destabilization

Physical Review Letters
AstronomyPhysics
2014English

H2storage in Isostructural UiO-67 and UiO-66 MOFs

Physical Chemistry Chemical Physics
Theoretical ChemistryAstronomyPhysicsPhysical
2012English

Approaching the Theoretical Limit in Periodic Local MP2 Calculations With Atomic-Orbital Basis Sets: The Case of LiH

Journal of Chemical Physics
MedicineTheoretical ChemistryAstronomyPhysicsPhysical
2011English

Prediction Uncertainty of Density Functional Approximations for Properties of Crystals With Cubic Symmetry

Journal of Physical Chemistry A
MedicineTheoretical ChemistryPhysical
2015English

Interfacing CRYSTAL/AMBER to Optimize QM/MM Lennard–Jones Parameters for Water and to Study Solvation of TiO2 Nanoparticles

Molecules
Organic ChemistryMolecular MedicineAnalytical ChemistryTheoretical ChemistryPharmaceutical ScienceMedicineDrug DiscoveryChemistryPhysical
2018English

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Nobel Lecture: The BEH Mechanism and Its Scalar Boson

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