Quantum Chemical Calculations of 31P NMR Chemical Shifts in Nickel Complexes: Scope and Limitations-Reference-Cited by-同舟云学术

Quantum Chemical Calculations of 31P NMR Chemical Shifts in Nickel Complexes: Scope and Limitations

Published:2020-04-09 Issue:8 Volume:39 Page:1413-1422
ISSN:0276-7333
Container-title:Organometallics
language:en
Short-container-title:Organometallics

Author:

Latypov Shamil K.¹^ORCID,Kondrashova Svetlana A.¹,Polyancev Fedor M.¹,Sinyashin Oleg G.¹

Affiliation:

1. Arbuzov Institute of Organic and Physical Chemistry, FRC Kazan Scientific Center of RAS, Arbuzov str. 8, Kazan, Tatarstan, Russian Federation 420083

Funder

Russian Science Foundation

Publisher

American Chemical Society (ACS)

Subject

Inorganic Chemistry,Organic Chemistry,Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.organomet.0c00127

Reference76 articles.

1. The DFT route to NMR chemical shifts

2. Ab initio calculations of the NMR chemical shift

3. A comparison of models for calculating nuclear magnetic resonance shielding tensors

4. Calculation of NMR Shielding Tensors Using Gauge-Including Atomic Orbitals and Modern Density Functional Theory

5. Calculation of NMR and EPR Parameters

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