RPA(D) and HRPA(D): calculation of carbon–carbon spin–spin coupling constants for saturated cycloalkanes-Reference-Cited by-同舟云学术

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RPA(D) and HRPA(D): calculation of carbon–carbon spin–spin coupling constants for saturated cycloalkanes

Published:2020-05-19 Issue:19-20 Volume:118 Page:e1757773
ISSN:0026-8976
Container-title:Molecular Physics
language:en
Short-container-title:Molecular Physics

Author:

Møller Christoffer H. S.¹^ORCID,Schnack-Petersen Anna Kristina¹^ORCID,Sauer Stephan P. A.¹^ORCID

Affiliation:

1. Department of Chemistry, University of Copenhagen, Copenhagen Ø, Denmark

Publisher

Informa UK Limited

Subject

Physical and Theoretical Chemistry,Condensed Matter Physics,Molecular Biology,Biophysics

Link

https://www.tandfonline.com/doi/pdf/10.1080/00268976.2020.1757773

Reference45 articles.

1. Triple excitation effects in coupled-cluster calculations of indirect spin–spin coupling constants

2. Full configuration-interaction and coupled-cluster calculations of the indirect spin–spin coupling constant of BH

3. Importance of Triples Contributions to NMR Spin–Spin Coupling Constants Computed at the CC3 and CCSDT Levels

4. Nuclear spin–spin coupling constants evaluated using many body methods

5. Coupled‐cluster calculations of indirect nuclear coupling constants: The importance of non‐Fermi contact contributions

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1. On the performance of HRPA(D) for NMR spin–spin coupling constants: Smaller molecules, aromatic and fluoroaromatic compounds;The Journal of Chemical Physics;2024-02-08

2. The Importance of Solvent Effects in Calculations of NMR Coupling Constants at the Doubles Corrected Higher Random-Phase Approximation;Magnetochemistry;2023-04-06

3. Indirect nuclear spin–spin couplings with third-order contributions added to the SOPPA method;The Journal of Chemical Physics;2023-03-28

4. Computational ¹ H and ¹³ C NMR in structural and stereochemical studies;Magnetic Resonance in Chemistry;2022-05-31

5. Quantum Chemical Approaches to the Calculation of NMR Parameters: From Fundamentals to Recent Advances;Magnetochemistry;2022-05-05

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