Atıf İçin Kopyala
Çiftçi İ.
CUMHURIYET SCIENCE JOURNAL, cilt.46, sa.2, ss.360-368, 2025 (Hakemli Dergi)
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Yayın Türü:
Makale / Tam Makale
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Cilt numarası:
46
Sayı:
2
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Basım Tarihi:
2025
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Doi Numarası:
10.17776/csj.1617573
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Dergi Adı:
CUMHURIYET SCIENCE JOURNAL
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Derginin Tarandığı İndeksler:
TR DİZİN (ULAKBİM)
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Sayfa Sayıları:
ss.360-368
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Van Yüzüncü Yıl Üniversitesi Adresli:
Evet
Özet
The examination of quantitative structure-property relationship (QSPR) paradigms uses topological indices to explain the chemical and physical properties of molecular entities. In the current study, the analysis primarily focused on the omicron degree of a diagonal, along with the Zagreb omicron indices concerning connected graphs, which indicates a significant advancement in the field of (chemical) graph theory. It has been shown that there are correlations exceeding 0.995 between the Zagreb omicron indices and the physicochemical properties of benzenes, including pi-electron energy, molecular weight, polarization, and relative formula mass. The results show that the correlation coefficients between the first Zagreb omicron index and the degree-based topological indices of benzenes are greater than 0.96. Additionally, structural sensitivity and abrupt change evaluations of these new indices were conducted and compared with alternative topological indices. The results and evaluations provide significant evidence indicating that Zagreb omicron indices are important for QSPR research initiatives.