The DOI matches its Crossref record; 3 of the 3 references it cites were found in a registry or an index.
Search for the Lin0/+1/-1 (n = 5−7) Lowest-Energy Structures Using the ab Initio Gradient Embedded Genetic Algorithm (GEGA). Elucidation of the Chemical Bonding in the Lithium Clusters
Abstract
We report the study of small lithium clusters Lin(0/+1/)(-)(1) (n = 5-7), performed via the novel Gradient Embedded Genetic Algorithm (GEGA) technique and molecular orbital analysis. GEGA was developed for searching of the lowest-energy structures of clusters. Results of our search, obtained using this program, have been compared with the previous ab initio calculations, and the efficiency of the developed GEGA method has thus been confirmed. The molecular orbital analysis of the found Lin(0/+1/)(-)(1) (n = 5-7) clusters showed the presence of multiple (σ and π) aromatic character in their chemical bonding, which governs their preferable shapes and special stability.
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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
Double aromaticity: aromaticity in orthogonal planes. The 3,5-dehydrophenyl cation.
Chandrasekhar, J., Jemmis, E. D., & von Ragué Schleyer, P. (1979) · Tetrahedron Letters · doi:10.1016/s0040-4039(01)95503-0 · Cited by 154
Amseis, P., Mesbah, W., Präsang, C., Hofmann, M., Geiseler, G., Massa, W., & Berndt, A. (2003) · Organometallics · doi:10.1021/om021046z · Cited by 16
Cited by
Multiwfn: A multifunctional wavefunction analyzer
Lu, T., & Chen, F. (2012) · Journal of Computational Chemistry · doi:10.1002/jcc.22885 · Cited by 45,371
All-boron aromatic clusters as potential new inorganic ligands and building blocks in chemistry
Alexandrova, A. N., Boldyrev, A. I., Zhai, H.-J., & Wang, L.-S. (2006) · Coordination Chemistry Reviews · doi:10.1016/j.ccr.2006.03.032 · Cited by 712
Self-citationUnderstanding Boron through Size-Selected Clusters: Structure, Chemical Bonding, and Fluxionality
Sergeeva, A. P., Popov, I. A., Piazza, Z. A., Li, W.-L., Romanescu, C., Wang, L.-S., & Boldyrev, A. I. (2014) · Accounts of Chemical Research · doi:10.1021/ar400310g · Cited by 608
Self-citationAll-Metal Aromaticity and Antiaromaticity
Boldyrev, A. I., & Wang, L.-S. (2005) · Chemical Reviews · doi:10.1021/cr030091t · Cited by 608
Self-citationWan, C., Zhang, Z., Dong, J., Xu, M., Pu, H., Baumann, D., Lin, Z., Wang, S., Huang, J., Shah, A. H., et al. (2023) · Nature Materials · doi:10.1038/s41563-023-01584-3 · Cited by 404
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Metadata
- Authors
- Alexandrova, A. N., & Boldyrev, A. I.
- Venue
- Journal of Chemical Theory and Computation
- Publisher
- American Chemical Society (ACS)
- Published
- 2005-06-11
- Volume
- 1
- Issue
- 4
- Pages
- 566-580
- ISSN
- 1549-9618 (ISSN-L)
- 1549-9626
- OpenAlex
- W2063060768
- Cited by
- 231
- References
- 3
- FWCI
- 3.28
- Type
- journal article
- Language
- en
- Open access
- closed
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