Discover open access scientific publications

Search, annotate, share and cite publications

Publications by Rodolphe Vuilleumier

Investigation of Structure and Dynamics of the Hydrated Metal–organic Framework MIL-53(Cr) Using First-Principles Molecular Dynamics

Physical Chemistry Chemical Physics
Theoretical ChemistryAstronomyPhysicsPhysical
2013English

Infrared Spectroscopy in the Gas and Liquid Phase From First Principle Molecular Dynamics Simulations: Application to Small Peptides

Molecular Physics
Theoretical ChemistryBiophysicsCondensed Matter PhysicsMolecular BiologyPhysical
2007English

Related publications

Elucidating the Breathing of the Metal–Organic Framework MIL-53(Sc) With Ab Initio Molecular Dynamics Simulations and in Situ X-Ray Powder Diffraction Experiments

Journal of the American Chemical Society
BiochemistryColloidCatalysisChemistrySurface Chemistry
2013English

Hierarchical Structure and Molecular Dynamics of Metal-Organic Framework as Characterized by Solid State NMR

Journal of Chemistry
Chemistry
2016English

Breathing Transitions in MIL-53(Al) Metal-Organic Framework Upon Xenon Adsorption

Angewandte Chemie - International Edition
CatalysisChemistry
2009English

Towards the First-Principles Investigation of Ordering Dynamics

Materials Science Forum
Mechanics of MaterialsMaterials ScienceCondensed Matter PhysicsMechanical Engineering
2005English

The Effects of Electronic Polarization on Water Adsorption in Metal-Organic Frameworks: H2O in MIL-53(Cr)

Journal of Chemical Physics
MedicineTheoretical ChemistryAstronomyPhysicsPhysical
2012English

Highly Selective Transport of Alkali Metal Ions by Nanochannels of Polyelectrolyte Threaded MIL-53 Metal Organic Framework

English

Bulk and Interfacial Aqueous Fluoride: An Investigation via First Principles Molecular Dynamics†

Journal of Physical Chemistry A
MedicineTheoretical ChemistryPhysical
2009English

First-Principles Molecular Dynamics Study of Al/Alq3interfaces

Science and Technology of Advanced Materials
Materials Science
2007English

Fullerene and Nanotube Growth: New Insights Using First Principles and Molecular Dynamics

Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences
MathematicsEngineeringAstronomyPhysics
2016English

Amanote Research

Note-taking for researchers

Follow Amanote

© 2026 Amaplex Software S.P.R.L. All rights reserved.

Privacy PolicyRefund Policy