Here, a new challenging benchmarking data set for cycloaddition reactions, CYCLO70, is presented and analyzed. CYCLO70 has been generated with the specific aim of being representative of the most chal...

Validating the performance of exchange-correlation functionals is vital to ensure the reliability of density functional theory (DFT) calculations. Typically, these validations involve benchmarking dat...

A computational investigation of the reported abiotic phosphorylation of ribose and the subsequent formation of ribonucleosides reveals that the most plausible reaction mechanism involves the protona...