Denizler İ. H., Çiftçi İ.
MAIN GROUP METAL CHEMISTRY, cilt.49, sa.1, ss.1-8, 2026 (SCI-Expanded, Scopus)
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Yayın Türü:
Makale / Tam Makale
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Cilt numarası:
49
Sayı:
1
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Basım Tarihi:
2026
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Doi Numarası:
10.1515/mgmc-2025-0010
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Dergi Adı:
MAIN GROUP METAL CHEMISTRY
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Derginin Tarandığı İndeksler:
Scopus, Science Citation Index Expanded (SCI-EXPANDED), Chemical Abstracts Core, Directory of Open Access Journals
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Sayfa Sayıları:
ss.1-8
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Van Yüzüncü Yıl Üniversitesi Adresli:
Evet
Özet
Abstract:
Mathematical chemistry is the study of a chemical substance’s molecular structure as a graph and the use of computational methods and graph theory to mathematical problems. One important tool in this field that gives a network structure a numerical value is the topological index. It can be thought of as a mathematical process that gives a chemical compound’s physico-chemical properties a numerical number. R topological indices are the most recent indices that are based on the sum and multiplication of degrees in a neighborhood. In this work, we first investigate the prediction ability of the R indices for octane isomers in order to assess their potential usefulness. R indices of octanes were found to be highly correlated with entropy and acentric factor characteristics. Furthermore, stronger associations between R indices and the Randic, Wiener, and Zagreb indices of octanes were found. These results suggest that R indices will play a significant role in QSPR research.