Relativistic four-component calculations of indirect nuclear spin-spin couplings with efficient evaluation of the exchange-correlation response kernel-Reference-Cited by-同舟云学术

Relativistic four-component calculations of indirect nuclear spin-spin couplings with efficient evaluation of the exchange-correlation response kernel

Published:2015-03-21 Issue:11 Volume:142 Page:114102
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:The Journal of Chemical Physics

Author:

Křístková Anežka¹,Komorovsky Stanislav²,Repisky Michal²,Malkin Vladimir G.¹,Malkina Olga L.¹³

Affiliation:

1. Institute of Inorganic Chemistry, Slovak Academy of Sciences, Dúbravská cesta 9, SK-84536 Bratislava, Slovakia

2. Centre for Theoretical and Computational Chemistry, University of Tromsø - The Arctic University of Norway, N-9037 Tromsø, Norway

3. Department of Inorganic Chemistry, Comenius University, Bratislava, Slovakia

Funder

Norwegian Supercomputing program

European Research Council (ERC)

Agentúra Ministerstva školstva, vedy, výskumu a športu SR (Agency of the Ministry of Education, Science, Research and Sport of the Slovak Republic for the Structural Funds of EU)

Norges Forskningsråd (Research Council of Norway)

Agentúra na Podporu Výskumu a Vývoja (Slovak Research and Development Agency)

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://aip.scitation.org/doi/pdf/10.1063/1.4913639

Reference58 articles.

1. The quantum-chemical calculation of NMR indirect spin–spin coupling constants

2. Relativistic Calculations of Spin-Spin Coupling Constants of Heavy Nuclei

3. Relativistic Effects on NMR Chemical Shifts

4. Relativistic Effects on Magnetic Resonance Parameters and Other Properties of Inorganic Molecules and Metal Complexes

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