Rapid Convergence of Energy and Free Energy Profiles with Quantum Mechanical Size in Quantum Mechanical–Molecular Mechanical Simulations of Proton Transfer in DNA

Title
Rapid Convergence of Energy and Free Energy Profiles with Quantum Mechanical Size in Quantum Mechanical–Molecular Mechanical Simulations of Proton Transfer in DNA
Authors
Keywords
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Journal
Journal of Chemical Theory and Computation
Volume 14, Issue 3, Pages 1695-1705
Publisher
American Chemical Society (ACS)
Online
2018-02-16
DOI
10.1021/acs.jctc.7b00964

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