Basis set convergence of indirect spin–spin coupling constants in the Kohn–Sham limit for several small molecules

Teobald Kupka; Marzena Nieradka; Michal Stachów; Tadeusz Pluta; Piotr Nowak; Hanna Kjær; Jacob Kongsted; Jakub Kaminsky

doi:10.1021/jp212588h

Basis set convergence of indirect spin–spin coupling constants in the Kohn–Sham limit for several small molecules

Teobald Kupka, Marzena Nieradka, Michal Stachów, Tadeusz Pluta, Piotr Nowak, Hanna Kjær, Jacob Kongsted, Jakub Kaminsky

Department of Chemistry

Publikation: Bidrag til tidsskrift › Tidsskriftartikel › Forskning › peer review

61 Citationer (Scopus)

Originalsprog	Engelsk
Tidsskrift	Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory
Vol/bind	116
Udgave nummer	14
Sider (fra-til)	3728-3738
Antal sider	11
ISSN	1089-5639
DOI	https://doi.org/10.1021/jp212588h
Status	Udgivet - 2012

Adgang til dokumentet

10.1021/jp212588h

Citationsformater

Kupka, T., Nieradka, M., Stachów, M., Pluta, T., Nowak, P., Kjær, H., Kongsted, J., & Kaminsky, J. (2012). Basis set convergence of indirect spin–spin coupling constants in the Kohn–Sham limit for several small molecules. Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory, 116(14), 3728-3738. https://doi.org/10.1021/jp212588h

Basis set convergence of indirect spin–spin coupling constants in the Kohn–Sham limit for several small molecules. / Kupka, Teobald; Nieradka, Marzena; Stachów, Michal; Pluta, Tadeusz; Nowak, Piotr; Kjær, Hanna; Kongsted, Jacob; Kaminsky, Jakub.

I: Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory, Bind 116, Nr. 14, 2012, s. 3728-3738.

Publikation: Bidrag til tidsskrift › Tidsskriftartikel › Forskning › peer review

Kupka, T, Nieradka, M, Stachów, M, Pluta, T, Nowak, P, Kjær, H, Kongsted, J & Kaminsky, J 2012, 'Basis set convergence of indirect spin–spin coupling constants in the Kohn–Sham limit for several small molecules', Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory, bind 116, nr. 14, s. 3728-3738. https://doi.org/10.1021/jp212588h

Kupka, Teobald ; Nieradka, Marzena ; Stachów, Michal ; Pluta, Tadeusz ; Nowak, Piotr ; Kjær, Hanna ; Kongsted, Jacob ; Kaminsky, Jakub. / Basis set convergence of indirect spin–spin coupling constants in the Kohn–Sham limit for several small molecules. I: Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory. 2012 ; Bind 116, Nr. 14. s. 3728-3738.

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author = "Teobald Kupka and Marzena Nieradka and Michal Stach{\'o}w and Tadeusz Pluta and Piotr Nowak and Hanna Kj{\ae}r and Jacob Kongsted and Jakub Kaminsky",

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AU - Pluta, Tadeusz

AU - Nowak, Piotr

AU - Kjær, Hanna

AU - Kongsted, Jacob

AU - Kaminsky, Jakub

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