New formulas for distance-based indices of Helicenes via benzene rings and their correlation with physicochemical properties.
سال انتشار: 1404
نوع سند: مقاله ژورنالی
زبان: انگلیسی
مشاهده: 32
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شناسه ملی سند علمی:
JR_JDMA-10-2_005
تاریخ نمایه سازی: 13 تیر 1404
چکیده مقاله:
Helically-shaped chiral molecules are produced when benzene rings are angularly annulated to form Helicenes. Helicenes are ortho-condensed polycyclic aromatic compounds with the chemical formula C_{۴n+۲} H_{۲n+۴} that have received attention due to their distinct structural, spectral, and optical properties, alluring physicochemical properties, and their application in various research fields. In this article, novel formulas of Szeged, Padmakar-Ivan, and Mostar indices are obtained through SMP-polynomials for Helicenes. These formulas do not need to count edges and can be calculated based on the number of benzene rings of Helicenes. Then, the results are displayed numerically and graphically and the topological indices are compared. Finally, the study explores the correlation between these indices and several physicochemical characteristics of different helicenes.
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نویسندگان
Zohreh Rajabinejad
Department of Mathematics, Faculty of Mathematics, Statistics and Computer Science, Semnan University, Semnan, Iran.
Saeed Mohammadian Semnani
Department of Mathematics, Faculty of Mathematics, Statistics and Computer Science, Semnan University, Semnan, Iran