Presentation of ECOSTBio Action CM1305 at APC Keflavik (Iceland)

I'm a Chemist..... (TEDxUdG presentation 2012)

A charge analysis derived from an atomic multipole expansion

Proton affinities of maingroup-element hydrides and noble gases: Trends across the periodic table, structural effects, and DFT validation

Energy landscapes of nucleophilic substitution reactions: A comparison of density functional theory and coupled cluster methods

QUILD: QUantum-regions interconnected by local descriptions

Inter- and intramolecular dispersion interactions

Metal–ligand bonding in metallocenes: Differentiation between spin state, electrostatic and covalent bonding

Substrate binding in the active site of cytochrome P450cam

AddRemove: A new link model for use in QM/MM studies

Atomic radii in molecules for use in a polarizable force field

Mean polarizabilities of organic molecules. A comparison of Restricted Hartree Fock, Density Functional Theory and Direct Reaction Field results

Density Functional Study on UV/VIS Spectra of Copper-Protein Active Sites: The Effect of Mutations