Path-Integral Calculations of Nuclear Quantum Effects in...

Path-Integral Calculations of Nuclear Quantum Effects in Model Systems, Small Molecules, and Enzymes via Gradient-Based Forward Corrector Algorithms

Azuri, Asaf, Engel, Hamutal, Doron, Dvir, Major, Dan Thomas
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Volume:
7
Language:
english
Journal:
Journal of Chemical Theory and Computation
DOI:
10.1021/ct100716c
Date:
May, 2011
File:
PDF, 4.29 MB
english, 2011
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