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Jan H. Jensen
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Some quick comments 1.The charge and spin state of each model should be defined. 2. Constraining CA atoms is pretty standard in such studies, but I haven’t seen CB atoms constr...
This preprint was submitted to PeerJ for peer review June 1, 2016
This document is the unedited Author's version of a Submitted Work that was subsequently accepted for publication in Journal of Physical Chemistry A, copyright © American Chemical...