Chemical Science · 2021 · 24 citations · 57 references
Natural SciencesChemistryPhysicsComputational ChemistryQuantum ChemistrySpectroscopyMolecular DynamicsMolecular Excited StatesNonadiabatic DynamicsOrganic SemiconductorsPhotochemical KineticsPhotochemistryExcimer StatesGas-phase ReactionsMolecular PhotodissociationMolecular PhotodynamicsNonadiabatic EffectsNonadiabatic Reaction DynamicsOrganic ElectronicsPhotodissociation Dynamics
The understanding of excimer formation and its interplay with the singlet-correlated triplet pair state 1 (TT) is of high significance for the development of efficient organic electronics.
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Molecular dynamics with coupling to an external bath
Herman J. C. Berendsen, Johan P. M. Postma, Wilfred F. van Gunsteren et al. · The Journal of Chemical Physics · 1984 · 31K citations · Full text
Natural Sciences, Chemistry, Physics +17
On the Quantum Correction For Thermodynamic Equilibrium
E. P. Wigner · Physical Review · 1932 · 9.2K citations
Molecular dynamics with electronic transitions
John C. Tully · The Journal of Chemical Physics · 1990 · 4K citations