On correlation of hyperbolic volumes of fullerenes with their properties Full article
| Journal |
Computational and Mathematical Biophysics
ISSN: 2544-7297 |
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| Output data | Year: 2020, Volume: 8, Number: 1, Pages: 150-167 Pages count : 18 DOI: 10.1515/cmb-2020-0108 | ||||
| Tags | fullerene; graph; hyperbolic geometry; volume; Wiener index | ||||
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Abstract:
We observe that fullerene graphs are one-skeletons of polyhedra, which can be realized with all dihedral angles equal to π/2 in a hyperbolic 3-dimensional space. One of the most important invariants of such a polyhedron is its volume. We are referring this volume as a hyperbolic volume of a fullerene. It is known that some topological indices of graphs of chemical compounds serve as strong descriptors and correlate with chemical properties. We demonstrate that hyperbolic volume of fullerenes correlates with few important topological indices and so, hyperbolic volume can serve as a chemical descriptor too. The correlation between hyperbolic volume of fullerene and its Wiener index suggested few conjectures on volumes of hyperbolic polyhedra. These conjectures are confirmed for the initial list of fullerenes.
Cite:
Egorov A.A.
, Vesnin A.Y.
On correlation of hyperbolic volumes of fullerenes with their properties
Computational and Mathematical Biophysics. 2020. V.8. N1. P.150-167. DOI: 10.1515/cmb-2020-0108 Scopus OpenAlex
On correlation of hyperbolic volumes of fullerenes with their properties
Computational and Mathematical Biophysics. 2020. V.8. N1. P.150-167. DOI: 10.1515/cmb-2020-0108 Scopus OpenAlex
Identifiers:
| Scopus: | 2-s2.0-85099176608 |
| OpenAlex: | W3109971755 |