The Effect of Molecular Conformation on the Accuracy of Theoretical 1 H and 13 C Chemical Shifts Calculated by ab initio Methods for Metabolic Mixture Analysis
Chikayama, Eisuke, Shimbo, Yudai, Komatsu, Keiko, Kikuchi, JunLanguage:
english
Journal:
The Journal of Physical Chemistry B
DOI:
10.1021/acs.jpcb.5b12748
Date:
March, 2016
File:
PDF, 1.88 MB
english, 2016