A Model for Calculate Some Electro- Optical Properties of Acenes Using Wiener Index

سال انتشار: 1398
نوع سند: مقاله کنفرانسی
زبان: انگلیسی
مشاهده: 92

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شناسه ملی سند علمی:

ATEMCONF01_131

تاریخ نمایه سازی: 27 تیر 1402

چکیده مقاله:

A topological representation of a molecule can be carried out through molecular graph. The descriptors are numerical values associated with chemical constitution for correlation of chemical structure with various physical properties, chemical reactivity or biological activity. A topological index is the graph invariant number calculated from a graph representing a molecule. In this study Wiener index in family acenes were calculated with some electronic and optical properties desired for a number of elements of the family, a model for predicting the electronic and optical properties by Wiener index has introduced. To offer this model, the electronic and optical properties of acenes were calculated using mathematical software, and the results compared by the data sources.

کلیدواژه ها:

Nanostructures ، Wiener Index ، Electronic and Optical Properties ، Gap Energy ، acenes.

نویسندگان

Ali Asghar Khakpoor

Department of Physics, Central Tehran Branch, Islamic Azad University, Iran

Bahare Agahi Keshe

Young Researchers and Elite Club, West Tehran Branch, Islamic Azad University, Iran

Maryam Mazdarani

Department of Mathematics, West Tehran Branch, Islamic Azad University, Iran