Some Practical Suggestions for Optimizing Geometries and Locating Transition States

A Discussion on Pseudopolymorphism

Achiral molecules in centrosymmetric space groups

My Research Profile

Organometallic reactivity: the role of metal–ligand bond energies from a computational perspective

Ligand Knowledge Bases

Crystal engineering of 1,2-dicarbonyls

X-rays in Biology

Mapping molecular motions leading to charge delocalization with ultrabright electrons

Jordaan 2008A DFT computational study of phosphine ligand dissociation versus hemilability in a Grubbs-type precatalyst containing a bidentate ligand during alkene metathesis

Maestro 2014 QRC

Energy States of Molecules