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The Journal of Chemical Physics|October 27, 2016
Floquet theory of radical pairs in radiofrequency magnetic fieldsHamish G Hiscock, Daniel R Kattnig, David E Manolopoulos, et al.The Journal of Chemical Physics|August 17, 2011
Accurate quantum-mechanical rate constants for a linear response Azzouz-Borgis proton transfer model employing the multilayer multiconfiguration time-dependent Hartree approachIan R Craig, Michael Thoss, Haobin WangScience (New York, N.Y.)|January 5, 2008
Nonadiabatic interactions in the Cl + H2 reaction probed by ClH2- and ClD2- photoelectron imagingEtienne Garand, Jia Zhou, David E Manolopoulos, et al.The Journal of Chemical Physics|March 3, 2005
Comment on "A centroid molecular dynamics study of liquid para hydrogen and ortho deuterium" [J. Chem. Phys. 121, 6412 (2004)]Thomas F Miller, David E Manolopoulos, Paul A Madden, et al.The Journal of Physical Chemistry Letters|August 20, 2015
Chemical Reaction Rates from Ring Polymer Molecular Dynamics: Zero Point Energy Conservation in Mu + H2 → MuH + HRicardo Pérez de Tudela, F J Aoiz, Yury V Suleimanov, et al.The Journal of Chemical Physics|June 16, 2023
Vibrational strong coupling in liquid water from cavity molecular dynamicsAnnina Z Lieberherr, Seth T E Furniss, Joseph E Lawrence, et al.The Journal of Physical Chemistry Letters|May 23, 2017
Nuclear Quantum Effects in Water Reorientation and Hydrogen-Bond DynamicsDavid M Wilkins, David E Manolopoulos, Silvio Pipolo, et al.Journal of Chemical Information and Modeling|March 13, 2010
Ensemble docking into multiple crystallographically derived protein structures: an evaluation based on the statistical analysis of enrichmentsIan R Craig, Jonathan W Essex, Katrin SpiegelThe Journal of Chemical Physics|December 2, 2025
Two-dimensional electronic spectra from trajectory-based dynamics: Pure-state Ehrenfest, spin-mapping, and mean classical path approachesAnnina Z Lieberherr, Joseph Kelly, Johan E Runeson, et al.The Journal of Chemical Physics|July 25, 2018
On the low magnetic field effect in radical pair reactionsAlan M Lewis, Thomas P Fay, David E Manolopoulos, et al.Pageof 8