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Kinetic isotope effects and how to describe them

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Kinetic isotope effects and how to describe them

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The collisional depolarization of OH(A (2)Sigma(+)) and NO(A (2)Sigma(+)) with Kr

Trajectory-Based Nonadiabatic Dynamics with Time-Dependent Density Functional Theory

A Classical and Quantum Trajectory Description of Nonadiabatic Dynamics within Time-Dependent Density Functional Theory

Nonadiabatic ab initio molecular dynamics using linear-response time-dependent density functional theory

Vibrationally Bond-Selective Chemisorption of Methane Isotopologues on Pt(111) Studied by Reflection Absorption Infrared Spectroscopy

On the Efficiency of Semiclassical and Classical Approximations of Quantum Fidelity in Many-Dimensional Systems

Three applications of path integrals: equilibrium and kinetic isotope effects, and the temperature dependence of the rate constant of the [1,5] sigmatropic hydrogen shift in (Z)-1,3-pentadiene

Communications: Evaluation of the nondiabaticity of quantum molecular dynamics with the dephasing representation of quantum fidelity

Proton Transfer Studied Using a Combined Ab Initio Reactive Potential Energy Surface with Quantum Path Integral Methodology

Quantum state-resolved studies of direct and precursor-mediated dissociative chemisorption of silane on Si(100)