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Nuclear Magnetic Shielding Constants from Quantum Mechanical/Molecular Mechanical Calculations Using Polarizable Embedding: Role of the Embedding Potential
Steinmann, Casper, Olsen, Jógvan Magnus Haugaard, Kongsted, JacobVolume:
10
Language:
english
Journal:
Journal of Chemical Theory and Computation
DOI:
10.1021/ct400880n
Date:
March, 2014
File:
PDF, 1.19 MB
english, 2014