Singlet fission in covalent dimers of methylene-locked 1,3-diphenyl-isobenzofuran: semiclassical simulations of nonadiabatic dynamics
Davide Accomasso, Giovanni Granucci, Maurizio Persico
Abstract
Surface hopping investigation of singlet fission in covalently linked dimers: impact of the mutual arrangement.
Topics & Concepts
Semiclassical physicsCovalent bondSinglet stateFissionSinglet fissionMethyleneChemistryPhysicsAtomic physicsQuantum mechanicsExcited stateOrganic chemistryQuantumNeutronSpectroscopy and Quantum Chemical StudiesAdvanced Chemical Physics StudiesQuantum, superfluid, helium dynamics