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Effect of Geometry Optimizations on QM-Cluster and QM/MM Studies of Reaction Energies in Proteins
Sumner, Sophie, Söderhjelm, Pär, Ryde, UlfVolume:
9
Language:
english
Journal:
Journal of Chemical Theory and Computation
DOI:
10.1021/ct400339c
Date:
September, 2013
File:
PDF, 2.13 MB
english, 2013