Vibrational Corrections to NMR Spin–Spin Coupling Constants from Relativistic Four-Component DFT Calculations-Reference-Cited by-同舟云学术

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Vibrational Corrections to NMR Spin–Spin Coupling Constants from Relativistic Four-Component DFT Calculations

Published:2022-09-22 Issue:39 Volume:126 Page:7013-7020
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Jakubowska Katarzyna¹^ORCID,Pecul Magdalena¹^ORCID,Ruud Kenneth²³^ORCID

Affiliation:

1. Faculty of Chemistry, University of Warsaw, 02-093 Warsaw, Poland

2. Hylleraas Centre for Quantum Molecular Sciences, Department of Chemistry, UiT─The Arctic University of Norway, N-9037 Tromsø, Norway

3. Norwegian Defence Research Establishment, P.O. Box 25, 2027 Kjeller, Norway

Funder

Norges Forskningsr?d

Narodowe Centrum Nauki

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jpca.2c05019

Reference43 articles.

1. Vibrational Effects on Molecular Properties in Large Molecules

2. Vibrational Contributions to Molecular Properties

3. Vibrational Contributions to Indirect Spin−Spin Coupling Constants Calculated via Variational Anharmonic Approaches

4. SOPPA and CCSD vibrational corrections to NMR indirect spin-spin coupling constants of small hydrocarbons

5. Faber, R.; Kaminsky, J.; Sauer, S. P. In New Developments in NMR No. 6: Gas Phase NMR; Jackowski, K., Jaszuński, M., Eds. The Royal Society of Chemistry, 2016; pp 218–266.

Cited by 3 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. Exploring Alternate Methods for the Calculation of High-Level Vibrational Corrections of NMR Spin–Spin Coupling Constants;Journal of Chemical Theory and Computation;2024-02-01

2. Theoretical and practical aspects of indirect spin–spin couplings;Nuclear Magnetic Resonance;2023-11-29

3. Relativistic Effects from Heavy Main Group p-Elements on the NMR Chemical Shifts of Light Atoms: From Pioneering Studies to Recent Advances;Magnetochemistry;2023-01-07

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