News

C&EN15h
Experiment-Driven Atomistic Materials Modeling: A Case Study Combining X-Ray Photoelectron Spectroscopy and Machine Learning Potentials to Infer the Structure of Oxygen-Rich ...
Department of Physics, University of Warwick, Coventry CV4 7AL, U.K. Warwick Centre for Predictive Modelling, School of Engineering, University of Warwick, Coventry CV4 7AL, U.K. You are free to share ...
C&EN6d
Structure Elucidation of Secondary Metabolites: Current Frontiers and Lingering Pitfalls
Analytical methods allow for the structure determination of submilligram quantities ... that highlight nonoverlapping challenges to the field, with implications for chemical, synthetic, and mechanism ...