The DOI matches its Crossref record; 8 of the 8 references it cites were found in a registry or an index.
”Developing paradigms of chemical bonding: adaptive natural density partitioning
Abstract
A method of description of the chemical bonding combining the compactness and intuitive simplicity of Lewis theory with the flexibility and generality of canonical molecular orbital theory is presented, which is called adaptive natural density partitioning. The objects of chemical bonding in this method are n-center 2-electron bonds, where n goes from one (lone-pair) to the maximum number of atoms in the system (completely delocalized bonding). The algorithm is a generalization of the natural bonding orbital analysis and is based on the diagonalization of the blocks of the first-order density matrix in the basis of natural atomic orbitals. The results obtained by the application of the algorithm to the systems with non-classical bonding can be readily interpreted from the point of view of aromaticity/antiaromaticity concepts. The considered examples include Li4 cluster and a family of planar boron clusters observed in molecular beams.
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Cites
Density-functional thermochemistry. III. The role of exact exchange
Becke, A. D. (1993) · The Journal of Chemical Physics · doi:10.1063/1.464913 · Cited by 103,767
Self-consistent molecular orbital methods. XX. A basis set for correlated wave functions
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Nucleus-Independent Chemical Shifts: A Simple and Efficient Aromaticity Probe
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Nucleus-Independent Chemical Shifts (NICS) as an Aromaticity Criterion
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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-citationThe aromatic fluctuation index (FLU): A new aromaticity index based on electron delocalization
Matito, E., Duran, M., & Solà, M. (2005) · The Journal of Chemical Physics · doi:10.1063/1.1824895 · Cited by 516
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Block-Localized Wavefunction (BLW) Method at the Density Functional Theory (DFT) Level
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Cited by
What is NBO analysis and how is it useful?
Weinhold, F., Landis, C. R., & Glendening, E. D. (2016) · International Reviews in Physical Chemistry · doi:10.1080/0144235x.2016.1192262 · Cited by 956
Understanding 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-citationA concentric planar doubly π-aromatic B19− cluster
Huang, W., Sergeeva, A. P., Zhai, H.-J., Averkiev, B. B., Wang, L.-S., & Boldyrev, A. I. (2010) · Nature Chemistry · doi:10.1038/nchem.534 · Cited by 532
Self-citationA stable compound of helium and sodium at high pressure
Dong, X., Oganov, A. R., Goncharov, A. F., Stavrou, E., Lobanov, S., Saleh, G., Qian, G.-R., Zhu, Q., Gatti, C., Deringer, V. L., et al. (2017) · Nature Chemistry · doi:10.1038/nchem.2716 · Cited by 386
Self-citationAll-boron analogues of aromatic hydrocarbons: B17− and B18−
Sergeeva, A. P., Averkiev, B. B., Zhai, H.-J., Boldyrev, A. I., & Wang, L.-S. (2011) · The Journal of Chemical Physics · doi:10.1063/1.3599452 · Cited by 332
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Metadata
- Authors
- Zubarev, D. Y., & Boldyrev, A. I.
- Venue
- Physical Chemistry Chemical Physics
- Publisher
- Royal Society of Chemistry (RSC)
- Published
- 2008
- Volume
- 10
- Issue
- 34
- Pages
- 5207
- ISSN
- 1463-9076 (ISSN-L)
- 1463-9084
- OpenAlex
- W2125985071
- Cited by
- 1,672
- References
- 8
- FWCI
- 8.89
- Type
- journal article
- Language
- en
- Open access
- closed
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