Dynamics starting at a conical intersection: Application to the photochemistry of pyrrole

UV excitation and radiationless deactivation of imidazole

(2009) Mario Barbatti et al.   JOURNAL OF CHEMICAL PHYSICS

Excited-state non-adiabatic dynamics simulations of pyrrole

(2009) Mario Vazdar et al.   MOLECULAR PHYSICS

Role of vibrational energy relaxation in the photoinduced nonadiabatic dynamics of pyrrole at the conical intersection

(2008) Zhenggang Lan et al.   CHEMICAL PHYSICS

The accuracy of molecular bond lengths computed by multireference electronic structure methods

(2008) Ron Shepard et al.   CHEMICAL PHYSICS

Deactivation via ring opening: A quantum chemical study of the excited states of furan and comparison to thiophene

(2008) Nemanja Gavrilov et al.   CHEMICAL PHYSICS

Ground state structures and excited state dynamics of pyrrole-water complexes: Ab initio excited state molecular dynamics simulations

(2008) Anupriya Kumar et al.   JOURNAL OF CHEMICAL PHYSICS

Excited states of thiophene: ring opening as deactivation mechanism

(2008) Susanne Salzmann et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS