Role of conical intersections in molecular spectroscopy and photoinduced chemical dynamics.
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Biochemistry and theory of proton-coupled electron transferExtracting conformational structure information of benzene molecules via laser-induced electron diffractionImaging an aligned polyatomic molecule with laser-induced electron diffraction.A multireference configuration interaction study of the photodynamics of nitroethylene.Light-induced conical intersections in polyatomic molecules: general theory, strategies of exploitation, and application.Contrasting ring-opening propensities in UV-excited α-pyrone and coumarin.Tracking the photodissociation probability of D(2)(+) induced by linearly chirped laser pulses.XUV excitation followed by ultrafast non-adiabatic relaxation in PAH molecules as a femto-astrochemistry experiment.Dual hydrogen-bonding motifs in complexes formed between tropolone and formic acid.On the incorporation of the geometric phase in general single potential energy surface dynamics: A removable approximation to ab initio data.Jahn-Teller-induced femtosecond electronic depolarization dynamics of the nitrogen-vacancy defect in diamond.Femtosecond crystallography with ultrabright electrons and x-rays: capturing chemistry in action.Dissipative dynamics at conical intersections: simulations with the hierarchy equations of motion method.Atomistic non-adiabatic dynamics of the LH2 complex with a GPU-accelerated ab initio exciton model.A 'bottom up', ab initio computational approach to understanding fundamental photophysical processes in nitrogen containing heterocycles, DNA bases and base pairs.Ultrafast isomerization in acetylene dication after carbon K-shell ionization.Fingerprints of Adiabatic versus Diabatic Vibronic Dynamics in the Asymmetry of Photoelectron Momentum Distributions.Slow photoelectron velocity-map imaging spectroscopy of the C9H7 (indenyl) and C13H9 (fluorenyl) anions.Photochemistry of highly excited states.XUV-induced reactions in benzene on sub-10 fs timescale: nonadiabatic relaxation and proton migration.Beyond Kohn-Sham Approximation: Hybrid Multistate Wave Function and Density Functional Theory.Electron dynamics upon ionization: control of the timescale through chemical substitution and effect of nuclear motion.Electron detachment of hydrogen anion in collisions with hydrogen molecule studied by surface hopping classical trajectory calculations.Accuracy of trajectory surface-hopping methods: Test for a two-dimensional model of the photodissociation of phenol.Ultrafast 25-fs relaxation in highly excited states of methyl azide mediated by strong nonadiabatic coupling.Coupled electron-nuclear quantum dynamics through and around a conical intersection.Condensed phase electron transfer beyond the Condon approximation.Hartree-Fock symmetry breaking around conical intersections.Electron-nuclear wave-packet dynamics through a conical intersection.Full-dimensional ground- and excited-state potential energy surfaces and state couplings for photodissociation of thioanisole.Analytic derivative couplings and first-principles exciton/phonon coupling constants for an ab initio Frenkel-Davydov exciton model: Theory, implementation, and application to compute triplet exciton mobility parameters for crystalline tetracene.Diabatic-At-Construction Method for Diabatic and Adiabatic Ground and Excited States Based on Multistate Density Functional Theory.Rich Athermal Ground-State Chemistry Triggered by Dynamics through a Conical Intersection.Tracking an electronic wave packet in the vicinity of a conical intersection.Dynamic mapping of conical intersection seams: A general method for incorporating the geometric phase in adiabatic dynamics in polyatomic systems.Effect of Noncovalent Interactions on Vibronic Transitions: An Experimental and Theoretical Study of the C2 H⋅⋅⋅CO2 Complex.The best of both Reps-Diabatized Gaussians on adiabatic surfaces.When do we need to account for the geometric phase in excited state dynamics?Ultrafast dynamics induced by the interaction of molecules with electromagnetic fields: Several quantum, semiclassical, and classical approaches.Quantum electron-vibrational dynamics at finite temperature: Thermo field dynamics approach.
P2860
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P2860
Role of conical intersections in molecular spectroscopy and photoinduced chemical dynamics.
description
article científic
@ca
article scientifique
@fr
articol științific
@ro
articolo scientifico
@it
artigo científico
@gl
artigo científico
@pt
artigo científico
@pt-br
artikel ilmiah
@id
artikull shkencor
@sq
artículo científico
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name
Role of conical intersections ...... hotoinduced chemical dynamics.
@en
Role of conical intersections ...... hotoinduced chemical dynamics.
@nl
type
label
Role of conical intersections ...... hotoinduced chemical dynamics.
@en
Role of conical intersections ...... hotoinduced chemical dynamics.
@nl
prefLabel
Role of conical intersections ...... hotoinduced chemical dynamics.
@en
Role of conical intersections ...... hotoinduced chemical dynamics.
@nl
P1476
Role of conical intersections ...... hotoinduced chemical dynamics.
@en
P2093
David R Yarkony
Wolfgang Domcke
P304
P356
10.1146/ANNUREV-PHYSCHEM-032210-103522
P577
2012-01-01T00:00:00Z