Predicting 17O NMR chemical shifts of polyoxometalates using density functional theory
Author:
Affiliation:
1. School of Chemistry
2. Monash University
3. 3800 Melbourne
4. Australia
Abstract
We have investigated the computation of 17O NMR chemical shifts of a wide range of polyoxometalates using density functional theory.
Funder
Australian Research Council
Publisher
Royal Society of Chemistry (RSC)
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://pubs.rsc.org/en/content/articlepdf/2016/CP/C5CP07766D
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