Quantifying the conceptual problems associated with the isotropic NICS through analyses of its underlying density-Reference-Cited by-同舟云学术

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Quantifying the conceptual problems associated with the isotropic NICS through analyses of its underlying density

Published:2019 Issue:6 Volume:21 Page:3145-3153
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Acke Guillaume¹²³⁴^ORCID,Van Damme Sofie¹²³⁴^ORCID,Havenith Remco W. A.⁵⁶⁷⁸⁹^ORCID,Bultinck Patrick¹²³⁴^ORCID

Affiliation:

1. Ghent Quantum Chemistry Group

2. Department of Chemistry

3. B-9000 Ghent

4. Belgium

5. Theoretical Chemistry

6. Zernike Institute for Advanced Materials and Stratingh Institute for Chemistry

7. University of Groningen

8. Groningen

9. The Netherlands

Abstract

Despite correlations with other aromaticity descriptors, the NICS is based on fields that have no features chemists associate with aromaticity.

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2019/CP/C8CP07343K

Reference39 articles.

1. What is aromaticity?

2. Which NICS Aromaticity Index for Planar π Rings Is Best?

3. Nucleus-Independent Chemical Shifts (NICS) as an Aromaticity Criterion

4. The Induced Magnetic Field

5. Magnetic criteria of aromaticity

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3. Revisiting Gauge-Independent Kinetic Energy Densities in Meta-GGAs and Local Hybrid Calculations of Magnetizabilities;The Journal of Physical Chemistry A;2023-12-15

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