On correlation of hyperbolic volumes of fullerenes with their properties-Reference-Cited by-同舟云学术

On correlation of hyperbolic volumes of fullerenes with their properties

Published:2020-01-01 Issue:1 Volume:8 Page:150-167
ISSN:2544-7297
Container-title:Computational and Mathematical Biophysics
language:en
Short-container-title:

Author:

Egorov A. A.¹,Vesnin A Yu.²

Affiliation:

1. Novosibirsk State University , Russia

2. Tomsk State University and Sobolev Institute of Mathematics , Russia

Abstract

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.

Publisher

Walter de Gruyter GmbH

Subject

Applied Mathematics,Computational Mathematics,Mathematical Physics,Molecular Biology,Biophysics

Link

https://www.degruyter.com/document/doi/10.1515/cmb-2020-0108/pdf

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