Partition of topological indices of benzenoid hydrocarbons into ring contributions
نویسندگان
چکیده
Abstract This work presents a simple method for partitioning the bond‐additive and atoms‐pair‐additive distance‐based topological indices of plane graphs into sum contributions inner faces. The proposed is applied to decompose several (Wiener, hyper‐Wiener, Tratch‐Stankevich‐Zefirov, Balaban, Szeged indices) ring series benzenoid systems. It was found that employed scheme providing an accurate assessment dominant cyclic conjugation modes in studied hydrocarbons. Thus, can be used as alternative quantum‐chemistry‐based aromaticity which are significantly more computationally demanding.
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ژورنال
عنوان ژورنال: International Journal of Quantum Chemistry
سال: 2023
ISSN: ['1097-461X', '0020-7608']
DOI: https://doi.org/10.1002/qua.27108