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Publications by Gianluca Fazio

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

Related publications

A QM/MM and QM/QM/MM Study of Kerr, Cotton–Mouton and Jones Linear Birefringences in Liquid Acetonitrile

Physical Chemistry Chemical Physics
Theoretical ChemistryAstronomyPhysicsPhysical
2018English

Improved Lennard-Jones Parameters for Accurate Molecular Dynamics Simulations

Biophysical Journal
Biophysics
2016English

Vacancy Behavior in a Compressed FCC Lennard-Jones Crystal

1981English

Pseudobond Parameters for QM/MM Studies Involving Nucleosides, Nucleotides, and Their Analogs

Journal of Chemical Physics
MedicineTheoretical ChemistryAstronomyPhysicsPhysical
2013English

Scaled Vapor-To-Liquid Nucleation in a Lennard-Jones System

Physical Review Letters
AstronomyPhysics
2010English

Can the Lennard-Jones Solid Be Expected to Be Fcc?

Physical Review Letters
AstronomyPhysics
1991English

QM/MM Study of the Taxadiene Synthase Mechanism

Journal of Computational Chemistry
Computational MathematicsChemistry
2019English

Optimized Mapping of Gas-Phase Quantum Calculations to General Force Field Lennard-Jones Parameters Based on Liquid-State Data

2019English

Specifics of Freezing of Lennard-Jones Fluid Confined to Molecularly Thin Layers

Journal of Chemical Physics
MedicineTheoretical ChemistryAstronomyPhysicsPhysical
2003English

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