Publications by authors named "Jessica R Duke"

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A mapping variable ring polymer molecular dynamics study of condensed phase proton-coupled electron transfer.
Sadrach Pierre, Jessica R Duke, Timothy J H Hele, Nandini Ananth

J Chem Phys· December 2017

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Mean field ring polymer molecular dynamics for electronically nonadiabatic reaction rates.
Jessica Ryan Duke, Nandini Ananth

Faraday Discuss· December 2016

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Simulating Excited State Dynamics in Systems with Multiple Avoided Crossings Using Mapping Variable Ring Polymer Molecular Dynamics.
Jessica R Duke, Nandini Ananth

J Phys Chem Lett· November 2015

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High-level ab initio predictions of the energetics of mCO2·(H2O)n (n = 1-3, m = 1-12) clusters.
K Sahan Thanthiriwatte, Jessica R Duke, Virgil E Jackson, Andrew R Felmy, David A Dixon

J Phys Chem A· October 2012

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