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https://doi.org/10.1039/978183...
Part of book or chapter of book . 2022 . Peer-reviewed
Data sources: Crossref
https://doi.org/10.1039/978183...
Part of book or chapter of book . 2024 . Peer-reviewed
Data sources: Crossref
https://doi.org/10.1039/978183...
Part of book or chapter of book . 2021 . Peer-reviewed
Data sources: Crossref
https://doi.org/10.1039/978178...
Part of book or chapter of book . 2020 . Peer-reviewed
Data sources: Crossref
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Theory and computation of nuclear shielding

Authors: Teobald Kupka;

Theory and computation of nuclear shielding

Abstract

The selected research papers on theoretical aspects of nuclear magnetic shielding published from 1 January to 31 December 2021 are shortly reviewed in this chapter. Among the reported studies are mainly density functional theory (DFT) predictions of nuclear shielding for free molecules, as well as in solution, modeled by the polarizable continuum model (PCM). The calculations for solids are getting more common in the reviewed period of time. Due to their relatively high computational price, the number of ab initio and high-level calculated nuclear shieldings is significantly lower. In several reports the theoretical results are additionally improved by inclusion of zero-point vibration and temperature correction (ZPVC and TC), As before, most calculations have been performed using the non-relativistic approach.

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citations
This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Citations provided by BIP!
popularity
This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
BIP!Popularity provided by BIP!
influence
This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Influence provided by BIP!
impulse
This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.
BIP!Impulse provided by BIP!
12
Top 10%
Average
Top 10%
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