New paper on enzymatically catalysed reactions
Congratulations to Domi for publishing her first paper. Domi carefully analysed the quality of geometries and high-level, wave-function procedures for the description of enzymatically catalysed reactions. The paper concludes with recommendations on how to best treat such reactions with both high-level and density functional theory methods. It got published in The Journal of Physical Chemistry A and will form part of the Leo Radom Festschrift to celebrate his upcoming 75th birthday. The paper can be accessed here.