Science · 2018 · 255 citations · 50 references
Natural SciencesChemistryPhysicsMolecular PhysicsNuclear PhysicsQuantum MechanicsMolecular Excited StatesNonadiabatic DynamicsVibrational StructureConical IntersectionsExcited-state DynamicsMolecular Vibrational ModesNonadiabatic Reaction DynamicsNuclear Wavepacket DynamicsPhotodissociation DynamicsPhotodissociation ProcessesPhoton Excitation
Motion picture of a conical intersection In most chemical reactions, electrons move earlier and faster than nuclei. It is therefore common to model reactions by using potential energy surfaces that depict nuclear motion in a particular electronic state. However, in certain cases, two such surfaces connect in a conical intersection that mingles ultrafast electronic and nuclear rearrangements. Yang et al. used electron diffraction to obtain time-resolved images of CF 3 I molecules traversing a conical intersection in the course of photolytic cleavage of the C–I bond (see the Perspective by Fielding). Science , this issue p. 64 ; see also p. 30
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Molecular dynamics with electronic transitions
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Conical intersection dynamics of the primary photoisomerization event in vision
Dario Polli, Piero Altoè, Oliver Weingart et al. · Nature · 2010 · 964 citations