NMR: spin-spin coupling constants

Documentation on the relativistic calculation of Nuclear Magnetic Resonance (NMR) indirect nuclear spin-spin coupling constant (SSCC).

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Book Chapters

Repisky, M., Komorovsky, S., Bast, R., Ruud, K.
Relativistic calculations of nuclear magnetic resonance parameters
in New Developments in NMR , 267-303 (2016).

Program Reference

ReSpect 5.0.1 (2018), relativistic spectroscopy DFT program of authors
M. Repisky, S. Komorovsky, V. G. Malkin, O. L. Malkina, M. Kaupp, K. Ruud, with contributions from R. Bast, R. Di Remigio, U. Ekstrom, M. Kadek, S. Knecht, L. Konecny, E. Malkin, I. Malkin Ondik (see www.respectprogram.org)

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Hylleraas Centre, Dept. of Chemistry
UiT The Arctic University of Norway
Tromsø, NO-9037 Norway
Email: info@respectprogram.eu