The DOI matches its Crossref record; 46 of the 46 references it cites were found in a registry or an index.
Bond Order Analysis Based on the Laplacian of Electron Density in Fuzzy Overlap Space
Abstract
Bond order is an important concept for understanding the nature of a chemical bond. In this work, we propose a novel definition of bond order, called the Laplacian bond order (LBO), which is defined as a scaled integral of negative parts of the Laplacian of electron density in fuzzy overlap space. Many remarkable features of LBO are exemplified by numerous structurally diverse molecules. It is shown that LBO has a direct correlation with the bond polarity, the bond dissociation energy, and the bond vibrational frequency. The dissociation behavior of LBO of the N-N bond in N2 has been studied. Effects of the basis sets, theoretic methods, and geometrical conformations on LBO have also been investigated. Through comparisons, we discussed in details similarities and discrepancies among LBO, Mayer bond order, natural localized molecular orbital bond order, fuzzy overlap population, and electron density at bond critical points.
Overview
The claims and statistics of this paper haven’t been checked yet.
Run the check — free, no account needed. It reads the open-access text and checks the sources it cites.
Integrity signals
Registry
Cites
Statistics
Verification
Claims the paper makes
The claims and statistics of this paper haven’t been checked yet.
Run the check — free, no account needed. It reads the open-access text and checks the sources it cites.
Self-check
Percentages, sums and reported differences re-computed from the paper’s own numbers.
The self-check needs the paper’s full text.
Citations
Cites
Generalized Gradient Approximation Made Simple
Perdew, J. P., Burke, K., & Ernzerhof, M. (1996) · Physical Review Letters · doi:10.1103/physrevlett.77.3865 · Cited by 215,824
Multiwfn: A multifunctional wavefunction analyzer
Lu, T., & Chen, F. (2012) · Journal of Computational Chemistry · doi:10.1002/jcc.22885 · Cited by 45,371
Self-citationDunning, T. H. (1989) · The Journal of Chemical Physics · doi:10.1063/1.456153 · Cited by 31,648
Vosko, S. H., Wilk, L., & Nusair, M. (1980) · Canadian Journal of Physics · doi:10.1139/p80-159 · Cited by 20,768
Toward reliable density functional methods without adjustable parameters: The PBE0 model
Adamo, C., & Barone, V. (1999) · The Journal of Chemical Physics · doi:10.1063/1.478522 · Cited by 19,042
Handbook of Mathematical Functions with Formulas, Graphs, and Mathematical Tables
W., J. W., Abramowitz, M., & Stegun, I. A. (1965) · Mathematics of Computation · doi:10.2307/2004114 · Cited by 18,663
A new mixing of Hartree–Fock and local density-functional theories
Becke, A. D. (1993) · The Journal of Chemical Physics · doi:10.1063/1.464304 · Cited by 16,515
Bader, R. F. W. (1990) · Clarendon Press eBooks · Cited by 12,942
A simple measure of electron localization in atomic and molecular systems
Becke, A. D., & Edgecombe, K. E. (1990) · The Journal of Chemical Physics · doi:10.1063/1.458517 · Cited by 7,145
(1992) · Choice Reviews Online · doi:10.5860/choice.30-1849 · Cited by 7,135
Cited by
Liu, Z., Lu, T., & Chen, Q. (2020) · Carbon · doi:10.1016/j.carbon.2020.04.099 · Cited by 429
Self-citation
Metadata
- Authors
- Lu, T., & Chen, F.
- Venue
- The Journal of Physical Chemistry A
- Publisher
- American Chemical Society (ACS)
- Published
- 2013-04-02
- Volume
- 117
- Issue
- 14
- Pages
- 3100-3108
- ISSN
- 1089-5639 (ISSN-L)
- 1520-5215
- OpenAlex
- W2335548734
- Cited by
- 699
- References
- 46
- FWCI
- 5.14
- Type
- journal article
- Language
- en
- Open access
- closed
About these checks
Registry, retraction, Cites and statistics results are computed, not judged, with one exception: a printed reference that no index lists is read once by a model before it counts as a citation error. Claims are extracted by a model and kept only when their quote appears verbatim in the text; each cited source is then checked, with a model’s help, for whether it says what the claim relies on. Those verdicts can be wrong — read the claim’s quote and the cited source before relying on one.
Statistics and arithmetic are recomputed, not judged.
Confidence bands are shown only for fields calibrated on our annotated test set. None is calibrated yet, so no band is shown.
What counts as a claim ›How we measure confidence ›How we check this ›
Are you an author, or do you see a problem with this page? Request a review
How to cite
Cite CoChat for the checks on this page, and the paper for its own findings.
- This page
- CoChat. (2026). Citation check: Bond Order Analysis Based on the Laplacian of Electron Density in Fuzzy Overlap Space. https://app.cochat.ai/papers/10.1021/jp4010345
- The paper
- Lu, T., & Chen, F. (2013). Bond Order Analysis Based on the Laplacian of Electron Density in Fuzzy Overlap Space. The Journal of Physical Chemistry A. https://doi.org/10.1021/jp4010345
Data sources
Bibliographic data: Semantic Scholar, OpenAlex, Crossref.
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.
