The DOI matches its Crossref record.
Pentagon adjacency as a determinant of fullerene stability
Abstract
Optimisation of geometries of all 40 fullerene isomers of C40, using methods from molecular mechanics and tight-binding to full abinitio SCF and DFT approaches, confirms minimisation of pentagon adjacency as a major factor in relative stability. The consensus predictions of 11 out of 12 methods are that the isomer of lowest total energy is the D2 cage with the smallest possible adjacency count, and that energies rise linearly with the number of adjacencies. Quantum mechanical methods predict a slope of 80–100 kJ mol-1 per adjacency. Molecular mechanics methods are outliers, with the Tersoff potential giving a different minimum and its Brenner modification a poor correlation and much smaller penalty.
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
Cited by
New Metallic Allotropes of Planar and Tubular Carbon
Terrones, H., Terrones, M., Hernández, E., Grobert, N., Charlier, J.-C., & Ajayan, P. M. (2000) · Physical Review Letters · doi:10.1103/physrevlett.84.1716 · Cited by 543
Structural Aspects of Fullerene ChemistryA Journey through Fullerene Chirality
Thilgen, C., & Diederich, F. (2006) · Chemical Reviews · doi:10.1021/cr0505371 · Cited by 508
Irregular and Semi‐Regular Polyhedral Models for Rous Sarcoma Virus Cores
Heymann, J. B., Butan, C., Winkler, D. C., Craven, R. C., & Steven, A. C. (2008) · Computational and Mathematical Methods in Medicine · doi:10.1080/17486700802168106 · Cited by 36
Metadata
- Authors
- Albertazzi, E., Domene, C., Fowler, P. W., Heine, T., Seifert, G., Van Alsenoy, C., & Zerbetto, F.
- Venue
- Physical Chemistry Chemical Physics
- Publisher
- Royal Society of Chemistry (RSC)
- Published
- 1999
- Volume
- 1
- Issue
- 12
- Pages
- 2913-2918
- ISSN
- 1463-9076 (ISSN-L)
- 1463-9084
- OpenAlex
- W2146478617
- Cited by
- 200
- References
- 0
- FWCI
- 3.07
- 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: Pentagon adjacency as a determinant of fullerene stability. https://app.cochat.ai/papers/10.1039/a901600g
- The paper
- Albertazzi, E., Domene, C., Fowler, P. W., Heine, T., Seifert, G., Van Alsenoy, C., & Zerbetto, F. (1999). Pentagon adjacency as a determinant of fullerene stability. Physical Chemistry Chemical Physics. https://doi.org/10.1039/a901600g
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.
