I am an organic chemist integrated in the S3 Group who mainly deals with the second S of our triad.
Molecular simulation is an integral part of most of our work and external collaborations. We also seek to achieve significant synergy between modern spectroscopy methodology and simulation in order to extract as much structural information as possible from easy-to-run, solution-phase, experiments (tipically NMR).
Very often our synthetic targets also require exploratory work on novel routes and development of new molecular transformations in which simulation is a valuable tool to evaluate mechanistic alternatives.
Since the S3 Group is of very recent creation our webpages are still very incomplete and under intensive construction. This will be fixed shortly. Despite these inconveniences, I hope I have aroused your interest in our research.
NewsNew paper out on the mechanism of the Noyori catalytic hydrogenation! Invited communication for the special issue: Emerging Investigators 2013 DOI:10.1039/C2CC37165K
New paper on the photochemistry of resveratrol! DOI:10.1039/C2OB26241J