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Accelerating the Convergence and Reducing the Variance of Path Integral Calculations of Quantum Mechanical Free Energies by Using Local Reference Potentials
Mielke, Steven L., Truhlar, Donald G.Volume:
8
Language:
english
Journal:
Journal of Chemical Theory and Computation
DOI:
10.1021/ct300098p
Date:
May, 2012
File:
PDF, 1.35 MB
english, 2012