Results 51 to 60 of about 40,634 (157)

INVESTIGATION ON TOPOLOGICAL INDICES OF LINE GRAPH BASED ON SUBDIVISION APPROACH FOR ABID-WAHEED GRAPH

Barekeng
In chemical graph theory, there is the study of Quantitative Structure Property Relationships (QSPR) and Quantitative Structure Activity Relationships (QSAR) that uses topological in dices which are numerical measures for the structures of molecular ...
Mohamad Nazri Husin, Kee Yeong Chua
doaj   +1 more source

O nekim zanimljivim rezultatima postignutim u Hrvatskoj u području kemijske teorije grafova (On Some Interesting Results Achieved in Chemical Graph Theory in Croatia) [PDF]

Kemija u Industriji, 2006
Some interesting results achieved in chemical graph theory in Theoretical Chemistry Group at the Rugjer Bošković Institute are briefly reviewed. In the article are discussed the use of the Sachs theorem for the construction of the characteristic ...
Trinajstić, N.
doaj  

Bounds in Chemical Graph Theory - Advances

, 2017
Published
Gutman, Ivan, Furtula, Boris, das, kinkar, Milovanović, Emina, Milovanović, Igor Z.   +4 more
openaire   +3 more sources

A graph theory-based algorithm for the reduction of atmospheric chemical mechanisms

PNAS Nexus
Abstract The atmospheric chemistry of volatile organic compounds (VOC) has a major influence on atmospheric pollutants and particle formation. Accurate modeling of this chemistry is essential for air quality models. Complete representations of VOC oxidation chemistry are far too large for spatiotemporal simulations of the atmosphere ...
Forwood Wiser, Siddhartha Sen, Zhizhao Wang, Julia Lee-Taylor, Kelley C Barsanti, John Orlando, Daniel M Westervelt, Daven K Henze, Arlene M Fiore, Alexander Berman, Reese Carter, V Faye McNeill   +11 more
openaire   +3 more sources

Analyzing boron oxide networks through Shannon entropy and Pearson correlation coefficient

Scientific Reports
In the current age of chemical science, chemical graph theory has significantly advanced our understanding of the characteristics of chemical compounds.
Rongbing Huang, Muhammad Farhan Hanif, Muhammad Kamran Siddiqui, Muhammad Faisal Hanif, Fikre Bogale Petros   +4 more
doaj   +1 more source

Chemical Graph Theory and the Sherlock Holmes Principle

HYLE, 2013
The development of chemical applications of graph theory is reviewed from a personal perspective. Graph-theoretical methods for finding all graphs fulfilling certain mathematical conditions followed by eliminating chemically impossible solutions are equivalent to the ‘Sherlock Holmes principle’.
openaire   +1 more source

Bounds in Chemical Graph Theory - Mainstreams

, 2017
Published
Gutman, Ivan, Furtula, Boris, das, kinkar, Milovanović, Emina, Milovanović, Igor Z.   +4 more
openaire   +1 more source

On analysis of silicon dioxide based on topological indices and entropy measure via regression model

Scientific Reports
The construction sector accounts for around 95% of the commercial usage of silicon dioxide (sand), for example, in the making of concrete. There are several uses for quartz, however in order to get a purer material, chemical processing is needed.
Rongbing Huang, Muhammad Farhan Hanif, Muhammad Kamran Siddiqui, Muhammad Faisal Hanif, Brima Gegbe   +4 more
doaj   +1 more source

QSPR Analysis of Chemical Graph Theory

General Letters in Mathematics, 2020
Rachanna Kanabur, S.K. Giregol, Akshata Nagaral, Priyanka Badave, Rekha Sannakkai, Renuka Sasalatti   +5 more
openaire   +1 more source

Bounds in Chemical Graph Theory - Basics

, 2017
Published
Gutman, Ivan, Furtula, Boris, das, kinkar, Milovanović, Emina, Milovanović, Igor Z.   +4 more
openaire   +1 more source