Efficient calculation of NMR isotopic shifts: Difference-dedicated vibrational perturbation theory
Author:
Affiliation:
1. Department of Chemistry and Molecular Biology, University of Gothenburg, SE-412 96 Göteborg, Sweden
Funder
Adlerbertska Stiftelserna
Stiftelsen Sigurd and Elsa Goljes Minne
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.5134538
Reference173 articles.
1. M. Wolfsberg, W. A. Van Hook, P. Paneth, and L. P. N. Rebelo, Isotope Effects: In the Chemical, Geological, and Bio Sciences (Springer Netherlands, Dordrecht, 2009), pp. 389–412.
2. Deuterium Isotope Effects on Molecular Dipole Moments by Microwave Spectroscopy
3. Electric dipole moments of low J states of H2O and D2O
4. Dipole moment function and equilibrium structure of methane in an analytical, anharmonic nine‐dimensional potential surface related to experimental rotational constants and transition moments by quantum Monte Carlo calculations
5. Isotope effect of hydrogen and lithium hydride molecules. Application of the dynamic extended molecular orbital method and energy component analysis
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