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The quantum needle of the avian magnetic compassCompeting quantum effects in the dynamics of a flexible water model.Quantum statistics and classical mechanics: real time correlation functions from ring polymer molecular dynamics.On the short-time limit of ring polymer molecular dynamics.Nuclear quantum effects and hydrogen bond fluctuations in water.Ring-polymer molecular dynamics: quantum effects in chemical dynamics from classical trajectories in an extended phase space.Spin-dependent charge recombination along para-phenylene molecular wires.An efficient quantum mechanical method for radical pair recombination reactions.Editorial: The Future of Chemical Physics Conference 2016.Magnetoelectroluminescence in organic light-emitting diodes.Efficient stochastic thermostatting of path integral molecular dynamics.Bimolecular reaction rates from ring polymer molecular dynamics.An efficient ring polymer contraction scheme for imaginary time path integral simulations.Nuclear quantum effects in water exchange around lithium and fluoride ions.A ring polymer molecular dynamics study of the isotopologues of the H + H2 reaction.Nuclear Quantum Effects in H(+) and OH(-) Diffusion along Confined Water Wires.Quantum diffusion of hydrogen and muonium atoms in liquid water and hexagonal ice.Nonadiabatic interactions in the Cl + H2 reaction probed by ClH2- and ClD2- photoelectron imaging.REACTION DYNAMICS. Spectroscopic observation of resonances in the F + H2 reaction.Reaction rate theory: summarising remarks.Proton transfer in a polar solvent from ring polymer reaction rate theory.Nuclear Quantum Effects in Water Reorientation and Hydrogen-Bond Dynamics.Floquet theory of radical pairs in radiofrequency magnetic fields.Comparison of approximate quantum simulation methods applied to normal liquid helium at 4 K.Efficient first-principles calculation of the quantum kinetic energy and momentum distribution of nuclei.Accelerating the convergence of path integral dynamics with a generalized Langevin equation.Comparison of path integral molecular dynamics methods for the infrared absorption spectrum of liquid water.Editorial: Remembering John C. Light. II. Scientific contributions.Asymmetric recombination and electron spin relaxation in the semiclassical theory of radical pair reactions.Zero point energy leakage in condensed phase dynamics: an assessment of quantum simulation methods for liquid water.Nonadiabatic effects in the photodetachment of ClH2(-).Quantum mechanical correlation functions, maximum entropy analytic continuation, and ring polymer molecular dynamics.Quantum diffusion in liquid water from ring polymer molecular dynamics.Quantum diffusion in liquid para-hydrogen from ring-polymer molecular dynamics.Chemical reaction rates from ring polymer molecular dynamics.Comment on "A centroid molecular dynamics study of liquid para hydrogen and ortho deuterium" [J. Chem. Phys. 121, 6412 (2004)].Product multiplet branching in the O(1D) + H2-->OH(2Pi) + H reaction.Quantum reactive scattering with a transmission-free absorbing potential.Reaction dynamics. Bending or breaking the rules?How to remove the spurious resonances from ring polymer molecular dynamics
P50
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P50
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chemist
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David Eusthatios Manolopoulos
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David Eusthatios Manolopoulos
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David Eusthatios Manolopoulos
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David Eusthatios Manolopoulos
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David Eusthatios Manolopoulos
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David Eusthatios Manolopoulos
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David Eusthatios Manolopoulos
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David Eusthatios Manolopoulos
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David Eusthatios Manolopoulos
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David Eusthatios Manolopoulos
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David Eusthatios Manolopoulos
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David Eusthatios Manolopoulos
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David Eusthatios Manolopoulos
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David Eusthatios Manolopoulos
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P166
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