Experiment and theory at the convergence limit: accurate equilibrium structure of picolinic acid by gas-phase electron diffraction and coupled-cluster computations
Author:
Affiliation:
1. Section of Chemical Information Systems
2. University of Ulm
3. 89069 Ulm
4. Germany
5. Department of Chemistry
6. Lomonosov Moscow State University
7. 119991 Moscow
8. Russia
Abstract
High accuracy of structure determination allows observation of fine structural effects, for example, due to formation of the intramolecular hydrogen bond.
Publisher
Royal Society of Chemistry (RSC)
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://pubs.rsc.org/en/content/articlepdf/2018/CP/C8CP00310F
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