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Calculation of 125 Te NMR Chemical Shifts at the Full Four-Component Relativistic Level with Taking into Account Solvent and Vibrational Corrections: A Gateway to Better Agreement with Experiment
Rusakova, Irina L., Rusakov, Yuriy Yu., Krivdin, Leonid B.Language:
english
Journal:
The Journal of Physical Chemistry A
DOI:
10.1021/acs.jpca.7b03198
Date:
June, 2017
File:
PDF, 1.00 MB
english, 2017