thermochemical stability from benzene to graphene
model for predicting fullerene local reactivity
accuracy ~ ±20 kJ/mol vs experimental uncertainty of ±100 kJ/mol
accuracy ~ ±20 kJ/mol vs experimental values mostly unavailable
model for instant computation of nanocarbon heat of formation
extending intermolecular interaction datasets to substrate–enzyme systems
reliable protocol for revealing unreliable quantum-chemistry thermochemical data
systematic sensitivity analysis of model quality with respect to training data quality
improving data quality to chemical accuracy for the ubiquitous database