News of the theoretical chemistry group

News of the theoretical chemistry group


M2 Internship available 1st Semester 2021
Structure and chemistry of graphene oxide in liquid water from first principles
Spontaneous liquid water dissociation on hybridised boron nitride and graphene atomic layers from ab initio molecular dynamics simulations
Protein Preferential Solvation in Water:Glycerol Mixtures
Attosecond pulse shaping using a seeded free-electron laser
On-Surface Synthesis of Nonmetal Porphyrins
Atomic-scale spin sensing with a single molecule at the apex of a scanning tunneling microscope
Intact carbonic acid is a viable protonating agent for biological bases
Versatile Electrification of Two-dimensional Nanomaterials in Water
A molecular density functional theory approach to electron transfer reactions
Spin in a Closed-Shell Organic Molecule on a Metal Substrate Generated by a Sigmatropic Reaction
Chiral Crystal Packing Induces Enhancement of Vibrational Circular Dichroism
On the Mass of Atoms in Molecules: Beyond the Born-Oppenheimer Approximation
Légion d’Honneur
L’eau, une histoire trouble – Podcast France Culture