RESOLVENT ENERGY AND ESTRADA INDEX OF BENZENOID HYDROCARBONS

نویسندگان
چکیده

برای دانلود باید عضویت طلایی داشته باشید

برای دانلود متن کامل این مقاله و بیش از 32 میلیون مقاله دیگر ابتدا ثبت نام کنید

اگر عضو سایت هستید لطفا وارد حساب کاربری خود شوید

منابع مشابه

Estrada Index of Benzenoid Hydrocarbons

A structure-descriptor EE, recently proposed by Estrada, is examined. If λ1, λ2, . . . ,λn are the eigenvalues of the molecular graph, then EE = n ∑ i=1 eλi . In the case of benzenoid hydrocarbons with n carbon atoms and m carbon-carbon bonds, EE is found to be accurately approximated by means of the formula a1 n cosh (√ 2m/n ) +a2, where a1 ≈ 1.098 and a2 =−0.64 are empirically determined fitt...

متن کامل

Albertson energy and Albertson Estrada index of graphs

‎Let $G$ be a graph of order $n$ with vertices labeled as $v_1‎, ‎v_2,dots‎ , ‎v_n$‎. ‎Let $d_i$ be the degree of the vertex $v_i$ for $i = 1‎, ‎2‎, ‎cdots‎ , ‎n$‎. ‎The Albertson matrix of $G$ is the square matrix of order $n$ whose $(i‎, ‎j)$-entry is equal to $|d_i‎ - ‎d_j|$ if $v_i $ is adjacent to $v_j$ and zero‎, ‎otherwise‎. ‎The main purposes of this paper is to introduce the Albertson ...

متن کامل

Calculating the hyper–Wiener index of benzenoid hydrocarbons

A method for the calculation of the hyper–Wiener index (WW ) of a benzenoid system B is described, based on its elementary cuts. A pair of elementary cuts partitions the vertices of B into four fragments, possessing nrs , r, s = 1, 2 vertices. WW is equal to the sum of terms of the form n11 n22 + n12 n21 . The applicability of the method is illustrated by deducing a general expression for WW of...

متن کامل

Some Observations on the Topological Resonance Energy of Benzenoid Hydrocarbons*

Two empirical rules are formulated for the topological resonance energy (TRE) of benzenoid hydrocarbons: (a) TRE is roughly linear function of the number of Kekule structures, and (b) in a homologous series containing a linear polyacene fragment, TRE is a linear function of the length of this fragment. In certain cases, however, the TRE model leads to incorrect predictions. There exist pairs of...

متن کامل

Open-Shell Benzenoid Polycyclic Hydrocarbons

Graphene has been found to be an attractive material since its discovery in 2004 and has drawn enormous interest among researchers owing to its intrinsic electronic and magnetic properties. An indefinitely large graphene sheet, if cut along the two edge directions, can generate two distinct, well-defined small graphene nanoribbons (GNRs), which may be classified into “zigzag” edge (1, transpoly...

متن کامل

ذخیره در منابع من


  با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید

ژورنال

عنوان ژورنال: Journal of the Serbian Society for Computational Mechanics

سال: 2020

ISSN: 1820-6530,2620-1941

DOI: 10.24874/jsscm.2020.01.04