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

Saved in:
Bibliographic Details
Published in:The journal of physical chemistry. B 2016-04, Vol.120 (14), p.3479-3487
Main Authors: Chikayama, Eisuke, Shimbo, Yudai, Komatsu, Keiko, Kikuchi, Jun
Format: Article
Language:English
Citations: Items that this one cites
Items that cite this one
Online Access:Get full text
Tags: Add Tag
No Tags, Be the first to tag this record!
Description
Summary:
ISSN:1520-6106
1520-5207
DOI:10.1021/acs.jpcb.5b12748