Atmospheric photochemistry Quantum chemistry
The Halons-9 Molecular Set
A new molecular set composed of small haloorganic compounds shows that popular computational methods may have errors of about 0.8 eV.
Atmospheric photochemistry
Nonadiabatic Dynamics of HCFC-132b
HCFC-132b is an important industrial compound with strong environmental impact. Nonadiabatic dynamics explains how UV induces its photo-decomposition in the sub-picosecond scale.
