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Gregory Voth
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Theory of Coarse-Graining and Multiscale Phenomena
Charge Transport
Renewable Energy Materials
Simulations of Biomolecular Systems
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McRae, Robin P.
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1992
McRae RP
,
Schenter GK
,
Garrett BC
,
Haynes GR
,
Voth GA
,
Schatz GC
.
Critical Comparison of Approximate and Accurate Quantum-mechanical Calculations of Rate Constants for a Model Activated Reaction in Solution
. The Journal of Chemical Physics. 1992 ;97:7392-7404.
DOI