The DOI matches its Crossref record; 1 of the 1 references it cites were found in a registry or an index.
Delocalization of Electrons in Molecules
Abstract
We report a general method for the investigation and quantification of delocalization in molecules. The method is based on the anisotropy of the current-induced density (ACID). Compared to the current density, which has been frequently used to investigate delocalization, the ACID approach has several advantages: it is a scalar field which is invariant with respect to the relative orientation of the magnetic field and the molecule, it is not a simple function of the overall electron density, it has the same symmetry as the wave function, and it can be plotted as an isosurface. Several selected examples demonstrate the predictive power and the general applicability of this method.
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Citations
Cites
Nucleus-Independent Chemical Shifts: A Simple and Efficient Aromaticity Probe
Schleyer, P. V. R., Maerker, C., Dransfeld, A., Jiao, H., & van Eikema Hommes, N. J. R. (1996) · Journal of the American Chemical Society · doi:10.1021/ja960582d · Cited by 6,210
Cited by
Nucleus-Independent Chemical Shifts (NICS) as an Aromaticity Criterion
Chen, Z., Wannere, C. S., Corminboeuf, C., Puchta, R., & Schleyer, P. V. R. (2005) · Chemical Reviews · doi:10.1021/cr030088+ · Cited by 3,847
Geuenich, D., Hess, K., Köhler, F., & Herges, R. (2005) · Chemical Reviews · doi:10.1021/cr0300901 · Cited by 1,675
Self-citationMagnetic criteria of aromaticity
Gershoni-Poranne, R., & Stanger, A. (2015) · Chem. Soc. Rev. · doi:10.1039/c5cs00114e · Cited by 494
Ueda, M., Jorner, K., Sung, Y. M., Mori, T., Xiao, Q., Kim, D., Ottosson, H., Aida, T., & Itoh, Y. (2017) · Nature Communications · doi:10.1038/s41467-017-00382-1 · Cited by 115
Papadakis, R., Li, H., Bergman, J., Lundstedt, A., Jorner, K., Ayub, R., Haldar, S., Jahn, B. O., Denisova, A., Zietz, B., et al. (2016) · Nature Communications · doi:10.1038/ncomms12962 · Cited by 67
Global Aromaticity and Antiaromaticity in Porphyrin Nanoring Anions
Peeks, M. D., Jirasek, M., Claridge, T. D. W., & Anderson, H. L. (2019) · Angewandte Chemie International Edition · doi:10.1002/anie.201909032 · Cited by 49
Baranac-Stojanović, M. (2019) · The Journal of Organic Chemistry · doi:10.1021/acs.joc.9b01858 · Cited by 24
Triplet State Baird Aromaticity in Macrocycles: Scope, Limitations, and Complications
Ayub, R., El Bakouri, O., Smith, J. R., Jorner, K., & Ottosson, H. (2021) · The Journal of Physical Chemistry A · doi:10.1021/acs.jpca.0c08926 · Cited by 15
Aromaticity and Antiaromaticity: How to Define Them
Baranac-Stojanović, M. (2025) · Chemistry · doi:10.3390/chemistry7040127 · Cited by 14
Singlet/Triplet State Anti/Aromaticity of CyclopentadienylCation: Sensitivity to Substituent Effect
Stojanović, M., Aleksić, J., & Baranac-Stojanović, M. (2021) · Chemistry · doi:10.3390/chemistry3030055 · Cited by 13
Orbital contributions to the magnetic shielding of cyclo[2 n ]carbons ( n = 3–12)
Baranac-Stojanović, M. (2025) · Physical Chemistry Chemical Physics · doi:10.1039/d5cp00032g · Cited by 3
The (Anti)aromatic Properties of Cyclo[n]Carbons: Myth or Reality?
Stasyuk, O. A., George, G., Curutchet, C., Plasser, F., & Stasyuk, A. J. (2025) · Journal of Computational Chemistry · doi:10.1002/jcc.70283 · Cited by 2
Metadata
- Authors
- Herges, R., & Geuenich, D.
- Venue
- The Journal of Physical Chemistry A
- Publisher
- American Chemical Society (ACS)
- Published
- 2001-03-14
- Volume
- 105
- Issue
- 13
- Pages
- 3214-3220
- ISSN
- 1089-5639 (ISSN-L)
- 1520-5215
- OpenAlex
- W2061111213
- Cited by
- 829
- References
- 1
- FWCI
- 4.48
- Type
- journal article
- Language
- en
- Open access
- closed
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Contains information from the Semantic Scholar Academic Graph Datasets, made available under the ODC Attribution License (ODC-BY 1.0).
Semantic Scholar’s data is described in: Kinney, R., et al. (2023). The Semantic Scholar Open Data Platform. arXiv:2301.10140.
