activity
20102019
most citedCompeting quantum effects in the dynamics of a flexible water model

560 citations · 655 across the 4 of their papers we have counts for

collaborators

5 papers

physics.chem-ph201935 cited

Radical pair intersystem crossing: Quantum dynamics or incoherent kinetics?

Thomas P Fay, David E Manolopoulos

Magnetic field effects on radical pair reactions arise due to the interplay of coherent electron spin dynamics and spin relaxation effects, a rigorous treatment of which requires t…

physics.chem-ph201743 cited

Analytic continuation of Wolynes theory into the Marcus inverted regime

Joseph E. Lawrence, David E. Manolopoulos

The Wolynes theory of electronically nonadiabatic reaction rates [P. G. Wolynes, J. Chem. Phys. 87, 6559 (1987)] is based on a saddle point approximation to the time integral of a…

physics.chem-ph201717 cited

Spin-dependent charge recombination along para-phenylene molecular wires

Thomas P. Fay, Alan M. Lewis, David E. Manolopoulos

We have used an efficient new quantum mechanical method for radical pair recombination reactions to study the spin-dependent charge recombination along PTZ--Ph--PD…

physics.chem-ph2016

Magnetoelectroluminescence in organic light emitting diodes

Joseph E. Lawrence, Alan M. Lewis, David E. Manolopoulos +1

The magnetoelectroluminescence of conjugated organic polymer films is widely accepted to arise from a polaron pair mechanism, but their magnetoconductance is less well understood.…

cond-mat.soft2010560 cited

Competing quantum effects in the dynamics of a flexible water model

Scott Habershon, Thomas E. Markland, David E. Manolopoulos

Numerous studies have identified large quantum mechanical effects in the dynamics of liquid water. In this paper, we suggest that these effects may have been overestimated due to t…