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Publications in Theoretical Chemistry

Sterilization of Macroscopic Poly(l-Lactic Acid) Porous Scaffolds With Dense Carbon Dioxide: Investigation of the Spatial Penetration of the Treatment and of Its Effect on the Properties of the Matrix

Journal of Supercritical Fluids
Theoretical ChemistryPhysicalChemical EngineeringCondensed Matter Physics
2016English

Orbital-Free Bond Breaking via Machine Learning

Journal of Chemical Physics
MedicineTheoretical ChemistryAstronomyPhysicsPhysical
2013English

Infrared Absorption of Gaseous Benzoylperoxy Radical C6H5C(O)OO Recorded With a Step-Scan Fourier-Transform Spectrometer

Journal of Chemical Physics
MedicineTheoretical ChemistryAstronomyPhysicsPhysical
2011English

A Survey of the Borrowing Hydrogen Approach to the Synthesis of Some Pharmaceutically Relevant Intermediates

Organic Process Research and Development
Organic ChemistryTheoretical ChemistryPhysical
2015English

Hybrid 3D Structure of Poly(d,l-Lactic Acid) Loaded With Chitosan/Chondroitin Sulfate Nanoparticles to Be Used as Carriers for Biomacromolecules in Tissue Engineering

Journal of Supercritical Fluids
Theoretical ChemistryPhysicalChemical EngineeringCondensed Matter Physics
2010English

Calculation of the Interfacial Free Energy of a Fluid at a Static Wall by Gibbs–Cahn Integration

Journal of Chemical Physics
MedicineTheoretical ChemistryAstronomyPhysicsPhysical
2010English

Periodic Quantum Mechanical Simulation of the He–MgO(100) Interaction Potential

Journal of Chemical Physics
MedicineTheoretical ChemistryAstronomyPhysicsPhysical
2011English

Liquid Crystalline Phase in Ethanol Suspension of Anisometric 4-Cyano-4-N-Hexylbiphenyl Microcrystals: Witnessed by Dielectric Spectroscopy

Journal of Chemical Physics
MedicineTheoretical ChemistryAstronomyPhysicsPhysical
2010English

Ehrenfest Dynamics Is Purity Non-Preserving: A Necessary Ingredient for Decoherence

Journal of Chemical Physics
MedicineTheoretical ChemistryAstronomyPhysicsPhysical
2012English

Ultrafast Dissociative Ionization and Large-Amplitude Vibrational Wave Packet Dynamics of Strong-Field-Ionized Di-Iodomethane

Journal of Chemical Physics
MedicineTheoretical ChemistryAstronomyPhysicsPhysical
2019English

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