A quantum reactive scattering perspective on electronic nonadiabaticity

Classical dynamics of chemical reactions in a quantum spirit

(2013) Laurent Bonnet   INTERNATIONAL REVIEWS IN PHYSICAL CHEMISTRY

Theoretical Design of Molecular Electrocatalysts with Flexible Pendant Amines for Hydrogen Production and Oxidation

(2013) Laura E. Fernandez et al.   Journal of Physical Chemistry Letters

Indirect Dynamics in a Highly Exoergic Substitution Reaction

(2013) Jochen Mikosch et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Retardation Effects and the Born-Oppenheimer Approximation: Theory of Tunneling Ionization of Molecules Revisited

(2013) Oleg I. Tolstikhin et al.   PHYSICAL REVIEW LETTERS

Dynamical Steps that Bridge Piecewise Adiabatic Shapes in the Exact Time-Dependent Potential Energy Surface

(2013) Ali Abedi et al.   PHYSICAL REVIEW LETTERS

Manipulating the singlet–triplet transition in ion strings by nonresonant dynamic Stark effect

(2013) Patricia Vindel-Zandbergen et al.   THEORETICAL CHEMISTRY ACCOUNTS

Quantum dynamics of complex-forming bimolecular reactions

(2012) H. Guo   INTERNATIONAL REVIEWS IN PHYSICAL CHEMISTRY

Quantum approaches to polyatomic reaction dynamics

(2012) Gunnar Nyman et al.   INTERNATIONAL REVIEWS IN PHYSICAL CHEMISTRY

Fragment momentum distributions obtained from coupled electron-nuclear dynamics

(2012) Kilian Hader et al.   JOURNAL OF CHEMICAL PHYSICS

Perspective: Nonadiabatic dynamics theory

(2012) John C. Tully   JOURNAL OF CHEMICAL PHYSICS

Nonadiabatic Dynamics of Photoinduced Proton-Coupled Electron Transfer: Comparison of Explicit and Implicit Solvent Simulations

(2012) Benjamin Auer et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Fingerprints of Adiabatic versus Diabatic Vibronic Dynamics in the Asymmetry of Photoelectron Momentum Distributions

(2012) Mirjam Falge et al.   Journal of Physical Chemistry Letters

Nuclear and electronic momentum distributions from pulse induced photodissociation

(2011) Kilian Hader et al.   CHEMICAL PHYSICS LETTERS

Time-resolved photoelectron spectroscopy of coupled electron-nuclear motion

(2011) Mirjam Falge et al.   JOURNAL OF CHEMICAL PHYSICS

Second-order nonadiabatic couplings from time-dependent density functional theory: Evaluation in the immediate vicinity of Jahn-Teller/Renner-Teller intersections

(2011) Chunping Hu et al.   JOURNAL OF CHEMICAL PHYSICS

Theoretical Analysis of the Sequential Proton-Coupled Electron Transfer Mechanisms for H2 Oxidation and Production Pathways Catalyzed by Nickel Molecular Electrocatalysts

(2011) Laura E. Fernandez et al.   Journal of Physical Chemistry C

Conical Intersection Dynamics in NO2 Probed by Homodyne High-Harmonic Spectroscopy

(2011) H. J. Worner et al.   SCIENCE

Nonadiabatic coupling vectors for excited states within time-dependent density functional theory in the Tamm–Dancoff approximation and beyond

(2010) Ivano Tavernelli et al.   JOURNAL OF CHEMICAL PHYSICS

Solvent-Mediated Electron Hopping: Long-Range Charge Transfer in IBr-(CO2) Photodissociation

(2010) L. Sheps et al.   SCIENCE

Nonadiabatic coupling vectors within linear response time-dependent density functional theory

(2009) Ivano Tavernelli et al.   JOURNAL OF CHEMICAL PHYSICS

Nonadiabatic Interactions in the Cl + H2 Reaction Probed by ClH2- and ClD2- Photoelectron Imaging

(2008) E. Garand et al.   SCIENCE

Imaging Nucleophilic Substitution Dynamics

(2008) J. Mikosch et al.   SCIENCE