Results 61 to 70 of about 572,605 (265)

Topological Evaluation of Four Para-Line Graphs Absolute Pentacene Graphs Using Topological Indices

International Journal of Analysis and Applications, 2023
A real-number to molecular structure mapping is a topological index. It is a graph invariant method for describing physico-chemical properties of molecular structures specific substances. In that article, We examined pentacene’s chemical composition. The
Mukhtar Ahmad, Muhammad Jafar Hussain, Gulnaz Atta, Sajid Raza, Irfan Waheed, Ather Qayyum   +5 more
doaj   +1 more source

Computing Topological Descriptors and Polynomials of Certain 2D Chemical Structures

Journal of Chemistry, 2021
In the fields of mathematical chemistry, a topological index, also known as a connectivity index, is a type of a molecular descriptor that is calculated based on the molecular graph of a chemical compound.
Muhammad Mubashir Izhar, Zahida Perveen, Dalal Alrowaili, Mehran Azeem, Imran Siddique, Shahid Imran, Muhammad Shoaib Sardar   +6 more
doaj   +1 more source

Extremal hyper-Zagreb index of trees of given segments with applications to regression modeling in QSPR studies

Alexandria Engineering Journal, 2023
Introduced by Gutman & Trinajstić in 1972, the two well-known Zagreb indices efficiently determine the total π-electron energy of alternant hydrocarbons. The hyper-Zagreb index is a variant of the classical first Zagreb index.
Sakander Hayat, Muhammad Adil Khan, Asad Khan, Haziq Jamil, Muhammad Yasir Hayat Malik   +4 more
doaj   +1 more source

Computing First General Zagreb Index of Operations on Graphs [PDF]

IEEE Access, 2019
The numerical coding of the molecular structures on the bases of topological indices plays an important role in the subject of Cheminformatics which is a combination of Computer, Chemistry, and Information Science. In 1972, it was shown that the total π-electron energy of a molecular graph depends upon its structure and it can be obtained by the
Jia-Bao Liu, Saira Javed, Muhammad Javaid, Khurram Shabbir   +3 more
openaire   +2 more sources

SOME CHEMICAL TOPOLOGICAL INDICES FOR THE COPRIME GRAPH OF THE INTEGERS MODULO GROUP

Barekeng
This paper delves into the exploration of the coprime graph of a finite group G, a graph with vertices representing all group elements. Vertices x and y are considered adjacent in ΓG if their orders are relatively prime.
Gustina Elfiyanti, Mutia Nofita Sari, I Gede Adhitya Wisnu Wardhana, Ade Candra, Ghazali Semil Ismail   +4 more
doaj   +1 more source

Topological Properties of Nanostar Dendrimer and Smart Polymer

Journal of Chemistry, 2020
The nanostar dendrimers are a piece of another gathering of macromolecules that seem, by all accounts, to be photon pipes simply like counterfeit reception apparatuses.
Muhammad Aamer Rashid, Sarfraz Ahmad, Murat Cancan, Mehwish Hussain Muhammad   +3 more
doaj   +1 more source

Hyper-Zagreb index in fuzzy environment and its application

Heliyon
The Zagreb indices (ZIs) are important graph invariants that are used extensively in many different fields in mathematics and chemistry, such as network theory, spectral graph theory, fuzzy graph theory (FGT) and molecular chemistry, etc. The hyper-ZI is
Sk Rabiul Islam, Bandar Bin Mohsin, Madhumangal Pal   +2 more
doaj   +1 more source

A lower bound for the first Zagreb index and its application [PDF]

, 2015
For a graph G, the first Zagreb index is defined as the sum of the squares of the vertices degrees. By investigating the connection between the first Zagreb index and the first three coefficients of the Laplacian characteristic polynomial, we give a ...
BELARDO, Francesco, Wang, Jian Feng
core  

Capacitive versus Faradaic Microelectrodes for Extracellular Stimulation: A Fully Coupled FEM–Hodgkin–Huxley Study of Thresholds and Current Redistribution

Advanced Electronic Materials, EarlyView.
A fully coupled FEM–HH model shows that ideally capacitive microelectrodes can achieve lower charge‐density thresholds than Faradaic contacts under current‐controlled stimulation. The advantage stems from the dynamics of surface current density on capacitive interfaces, which redirects current beneath adherent neurons.
Aleksandar Opančar, Eric Daniel Głowacki, Vedran Đerek   +2 more
wiley   +1 more source

Extremal graphs of multiplicative sum Zagreb index [PDF]

Notes on Number Theory and Discrete Mathematics
The multiplicative sum Zagreb index, regarded as the multiplicative version of the first Zagreb index, is defined as the product of the degree sum over all pairs of adjacent vertices.
Chunlei Xu, Guanru Li, Yiming Lei, Junming Hu   +3 more
doaj   +1 more source