News of the theoretical chemistry group Theoretical chemistry Research themes News Members Seminars Positions Publications Contact News of the theoretical chemistry group Les mécanismes de réactions clés des origines de la vie révélés par des simulations moléculaires guidées par l’intelligence artificielle Tuning Acid–Base Chemistry at an Electrified Gold/Water Interface Comment les organismes vivants se sont adaptés aux variations de températures au cours de l’évolution 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
