2007
Ultrafast Photooxidation of Mn(II)−Terpyridine Complexes Covalently Attached to TiO2 Nanoparticles
Abuabara S, Cady C, Baxter J, Schmuttenmaer C, Crabtree R, Brudvig G, Batista V. Ultrafast Photooxidation of Mn(II)−Terpyridine Complexes Covalently Attached to TiO2 Nanoparticles. The Journal Of Physical Chemistry C 2007, 111: 11982-11990. DOI: 10.1021/jp072380h.Peer-Reviewed Original ResearchInterfacial electron transferTiO2 nanoparticlesColloidal thin filmsVisible light sensitizationElectron transferTime-resolved measurementsSurface modificationNanoparticlesThin filmsTiO2 surfaceAqueous suspensionTransient measurementsEPR signalPhotoexcitationMeasurementsComputational simulationsFilmsFSSpectroscopyComplexesPhotooxidationTransferSurfaceSignals
2002
Coherent Control in the Presence of Intrinsic Decoherence: Proton Transfer in Large Molecular Systems
Batista V, Brumer P. Coherent Control in the Presence of Intrinsic Decoherence: Proton Transfer in Large Molecular Systems. Physical Review Letters 2002, 89: 143201. PMID: 12366043, DOI: 10.1103/physrevlett.89.143201.Peer-Reviewed Original ResearchCoherent controlExcited-state proton transfer dynamicsCoherent control scenarioProton transfer dynamicsDecoherence phenomenaDecoherence measuresSemiclassical approachIntrinsic decoherenceLarge molecular systemsExperimental interestTransfer dynamicsMolecular systemsProton transferTautomerization reactionDecoherenceLarge moleculesPhotoexcitation
1998
Semiclassical molecular dynamics simulations of ultrafast photodissociation dynamics associated with the Chappuis band of ozone
Batista V, Miller W. Semiclassical molecular dynamics simulations of ultrafast photodissociation dynamics associated with the Chappuis band of ozone. The Journal Of Chemical Physics 1998, 108: 498-510. DOI: 10.1063/1.475413.Peer-Reviewed Original ResearchElectronic potential energy surfacesSemiclassical molecular dynamics simulationsUltrafast photodissociation dynamicsChappuis bandsSemiclassical initial value representation methodTime-dependent picturePotential energy surfaceUltrafast dynamicsPhotodissociation dynamicsSemiclassical resultsExcited statesNonadiabatic processesMolecular dynamics simulationsEnergy surfaceModel HamiltonianVisible lightGas phaseDynamical featuresDynamics simulationsRealistic reactionsOzoneBandPredissociationPhotodissociationPhotoexcitation