Results 31 to 40 of about 367,971 (281)

Some topological indices of pentagonal double chains [PDF]

ITM Web of Conferences, 2022
In graph theory, lattices are used when some structural part of the graph repeats itself finitely or infinitely many times. They have applications in complex analysis and geometry in mathematics, and also natural applications in chemical graph theory. As
Mahalank Pushpalatha, Ozon Yildirim Seyma, Ersoy Zihni Fikriye, Majhi Bhairaba Kumar, Cangul Ismail Naci   +4 more
doaj   +1 more source

Edge Weight-Based Entropy of Magnesium Iodide Graph

Journal of Mathematics, 2021
Among the inorganic compounds, there are many influential crystalline structures, and magnesium iodide is the most selective. In the making of medicine and its development, magnesium iodide is considered a multipurpose and rich compound.
Maryam Salem Alatawi, Ali Ahmad, Ali N. A. Koam, Sadia Husain, Muhammad Azeem   +4 more
doaj   +1 more source

Computing Topological Indices for Para-Line Graphs of Anthracene

Open Chemistry, 2019
Atoms displayed as vertices and bonds can be shown by edges on a molecular graph. For such graphs we can find the indices showing their bioactivity as well as their physio-chemical properties such as the molar refraction, molar volume, chromatographic ...
Zhang Zhiqiang, Mufti Zeshan Saleem, Nadeem Muhammad Faisal, Ahmad Zaheer, Siddiqui Muhammad Kamran, Farahani Muhammad Reza   +5 more
doaj   +1 more source

Generalized Zagreb index of some dendrimer structures

Universal Journal of Mathematics and Applications, 2018
Chemical graph theory, is a branch of mathematical chemistry which deals with the nontrivial applications of graph theory to solve molecular problem. A chemical graph is represent a molecule by considering the atoms as the vertices and bonds between them
Anita Pal, Prosanta Sarkar, İsmail Naci Cangül, Nilanjan De   +3 more
doaj   +1 more source

Complex and detailed balancing of chemical reaction networks revisited [PDF]

, 2015
The characterization of the notions of complex and detailed balancing for mass action kinetics chemical reaction networks is revisited from the perspective of algebraic graph theory, in particular Kirchhoff's Matrix Tree theorem for directed weighted ...
Jayawardhana, Bayu, Rao, Shodhan, van der Schaft, Arjan   +2 more
core   +4 more sources

Topological Descriptors on Some Families of Graphs

Journal of Chemistry, 2021
In view of the successful applications of graph theory, relationships between the biological activity and chemical structure have been developed. One of the popular topics in graph theory is problems relating to topological indices.
Iftikhar Ahmad, Maqbool Ahmad Chaudhry, Muhammad Hussain, Tariq Mahmood   +3 more
doaj   +1 more source

Improvements to the APBS biomolecular solvation software suite [PDF]

, 2017
The Adaptive Poisson-Boltzmann Solver (APBS) software was developed to solve the equations of continuum electrostatics for large biomolecular assemblages that has provided impact in the study of a broad range of chemical, biological, and biomedical ...
Baker, Nathan A., Brandi, Juan, Brookes, David H., Chen, Jiahui, Chun, Minju, Dolinsky, Todd, Engel, Dave, Felberg, Lisa E., Geng, Weihua, Gohara, David W., Head-Gordon, Teresa, Holst, Michael J., Jurrus, Elizabeth, Koes, David R., Konecny, Robert, Krasny, Robert, Li, Peter, Liles, Karina, McCammon, J. Andrew, Monson, Kyle, Nielsen, Jens Erik, Star, Keith, Wei, Guo Wei, Wilson, Leighton   +23 more
core   +2 more sources

Stationary waves on nonlinear quantum graphs: General framework and canonical perturbation theory [PDF]

, 2016
In this paper we present a general framework for solving the stationary nonlinear Schr\"odinger equation (NLSE) on a network of one-dimensional wires modelled by a metric graph with suitable matching conditions at the vertices. A formal solution is given
Gnutzmann, Sven, Waltner, Daniel
core   +2 more sources

On Computation of Edge Degree-Based Banhatti Indices of a Certain Molecular Network

Journal of Mathematics, 2021
Chemical graph theory deals with the basic properties of a molecular graph. In graph theory, we correlate molecular descriptors to the properties of molecular structures.
Jiang-Hua Tang, Muhammad Abid, Kashif Ali, Asfand Fahad, Muhammad Anwar Chaudhry, Muhammad Imran Qureshi, Jia-Bao Liu   +6 more
doaj   +1 more source

TOPOLOGY INDEX OF THE COPRIME GRAPH FOR DIHEDRAL GROUP OF PRIME POWER ORDER

Jurnal Diferensial, 2023
In the field of molecular chemistry, graph theory is utilized to represent the structure of a molecule, where the set of nodes corresponds to its chemical elements and the set of edges represents the bonds within the chemical molecule.
Marena Rahayu Gayatri, Rifdah Fadhilah, Sahin Two Lestari, Lia Fitta Pratiwi, Abdurahim Abdurahim, I Gede Adhitya Wisnu Wardhana   +5 more
doaj   +1 more source