Research
Quantum chemistry composite methods
Quantum chemistry composite methods
Nanocarbon thermochemistry
Nanocarbon thermochemistry
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
General thermochemistry data sets
General thermochemistry data sets
Physical organic chemistry
Physical organic chemistry