Reaction mechanisms of enzymes and catalytic enhancement based on transition state...
A Multiscale Framework Applied to the Investigation of CO2 Reduction on Metallic N...
Application of the QTAIM / CCTDP model and machine learning for the forecast of ch...
Construction of fluorescently-labeled cell lines to evaluate cancer-associated pro...
Using atomic polar tensors and QCT parameters to train a machine learning model an...
Study of the structure and reactivity of catalytic systems of Pd-photoredox reacti...
Prediction and design of catalytic processes using statistical modeling