Computational Chemistry

Reactivity and stability of N-centered radicals
Effect of pressure on the thermal dimerization of cycloheptatriene
Aromaticity and magnetic properties in large conjugated rings
Tuning the diradical character of organic molecules by rational design
Exact exchange-correlation functionals for molecular dissociation and ...
Design of bright unpaired electrons for optoelectronics
Theoretical characterization of the reaction mechanism of cyclic and linear polyethers