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Graph theory and molecular orbitals. XII. Acyclic polyenes
Abstract
A graph-theoretical study of acyclic polyenes is carried out with an emphasis on the influence of branching on several molecular properties. A definition of branching is given and several branching indices are analyzed. The case of polyenes without a Kekulé structure is discussed briefly. The main conclusions are: (a) thermodynamic stability of conjugated polyenes decreases with branching, but (b) reactivity, in general, increases with branching.
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Cited by
Golbraikh, A., & Tropsha, A. (2002) · Journal of Molecular Graphics and Modelling · doi:10.1016/s1093-3263(01)00123-1 · Cited by 3,735
QSAR Models for the Analysis of Bioresponse Data from Combinatorial Libraries of Biomaterials
Smith, J. R., Kholodovych, V., Knight, D., Welsh, W. J., & Kohn, J. (2005) · QSAR & Combinatorial Science · doi:10.1002/qsar.200420062 · Cited by 39
Metadata
- Authors
- Gutman, I., Ru??ić, B., Trinajstić, N., & Wilcox, C. F.
- Venue
- The Journal of Chemical Physics
- Publisher
- AIP Publishing
- Published
- 1975-05-01
- Volume
- 62
- Issue
- 9
- Pages
- 3399-3405
- ISSN
- 0021-9606 (ISSN-L)
- 1089-7690
- OpenAlex
- W2085908220
- Cited by
- 825
- References
- 0
- FWCI
- 4.44
- Type
- journal article
- Language
- en
- Open access
- closed
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- CoChat. (2026). Citation check: Graph theory and molecular orbitals. XII. Acyclic polyenes. https://app.cochat.ai/papers/10.1063/1.430994
- The paper
- Gutman, I., Ru??ić, B., Trinajstić, N., & Wilcox, C. F. (1975). Graph theory and molecular orbitals. XII. Acyclic polyenes. The Journal of Chemical Physics. https://doi.org/10.1063/1.430994
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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.
