Results 111 to 120 of about 5,307,048 (221)

On the spectral radius of atom-bond maximum degree-based sum-connectivity matrix and its applications as molecular descriptors

Kuwait Journal of Science
matrices have been extensively studied. One of the modified versions of Randić index is the index 𝑅′ (𝐺) = ∑ 𝑣𝑖∼𝑣𝑗 1 / max{𝑑𝑖 , 𝑑𝑗 } , where 𝑑𝑖 and 𝑑𝑗 are the vertex degrees of 𝑣𝑖 and 𝑣𝑗 , respectively.
B.R. Rakshith, L. Yashaswini, Kinkar Chandra Das   +2 more
doaj   +1 more source

The first multiplication atom-bond connectivity index of molecular structures in drugs

, 2017
In the field of medicine, there are a large number of new drugs synthesis every year. Before entering the clinical stage, it needs a lot of work on drug testing of the various properties.
Weifan Wang, Li Shi, Yiqiao Wang, Wei Gao   +3 more
core   +1 more source

Large‐Scale Determination of Frontier Orbital Energies of Disordered Small‐Molecule Organic Semiconductors Using Exciplex Emission Spectra

Advanced Materials, EarlyView.
ABSTRACT Accurately knowing the frontier orbital energies of the structurally disordered small‐molecule organic semiconductors that are used in optoelectronic devices such as organic light‐emitting diodes is required to rationally improve their performance. Here, we show that these energies can be deduced with a large accuracy from the peak energies of
Christian B. McDonald, Hiroki Tomita, Giacomo Cotelli, Louka L. Brüll, Nanno G. de Rooij, Lucas R.L. Norg, Milo Clément, Reinder Coehoorn   +7 more
wiley   +1 more source

Sharp inequalities for the atom-bond sum-connectivity index of graph operations

Hacettepe Journal of Mathematics and Statistics
The atom-bond sum-connectivity index of a graph $G$ is defined as\begin{equation*}ABSC(G)=\sum\limits_{uv\in E(G)}\sqrt{\frac{d(u)+d(v)-2}{d(u)+d(v)}}=\sum\limits_{uv\in E(G)}\sqrt{1-\frac{2}{d(u)+d(v)}}\end{equation*}where $d(u)$ and $d(v)$ represent the degrees of vertices $u$ and $v$ respectively. In this paper, we will determine the sharp upper and
openaire   +1 more source

Some properties of the novel topological graph index Atom-Bond Sum-Connectivity index

Abstract The sum-connectivity variant of atom-bond connectivity index is recently introduced, and is defined as the sum of the terms of the form $\sqrt{(d_u+d_v-2)/(d_u+d_v)}$ over all adjacent vertices $u, v$ in a graph $G$, and named as the atom-bond sum connectivity index denoted by $ABS(G)$.
Gowtham Kalkere Jayanna, Narahari Narasimha Swamy, Badekara Sooryanarayana, Ismail Naci Cangul   +3 more
openaire   +1 more source

Hydrophobic MFI‐Type Zeolites via Alkali‐Cation‐Induced Defect Healing: Implications for Adsorbent and Catalyst Design

Advanced Materials, EarlyView.
Sub‐stoichiometric amounts of Na+ or K+ enhance defect healing during Silicalite‐1 (MFI) and TS‐1 calcination by promoting Si–O–Si annealing and healing framework vacancies. The resulting defect‐free zeolites are more hydrophobic and show improved butanol/water separation and improved activity and selectivity in the epoxidation of 1‐hexene, offering a ...
Christos Kanteler, Pau Ferri, Francisco Javier Escobar‐Bedia, Álvaro Mayoral, Alejandro Vidal‐Moya, Richard Kendra, Chen Lei, Miguel Palomino, Fernando Rey, Lukáš Grajciar, Christopher James Heard, Pedro Serna, Mercedes Boronat, Cristina Martínez, Manuel Moliner   +14 more
wiley   +1 more source

Bond-additive Modeling. 3. Comparison between the Product-connectivity Index and Sum-connectivity Index [PDF]

, 2010
Using the framework of a previously defined procedure (Refs. 16 and 17), we compared the Randić (product-)connectivity index and the sum-connectivity index for the benchmark sets of molecules, that is, 18 octanes, 82 polycyclic aromatic hydrocarbons ...
Damir Vukičević, Trinajstić, Nenad, Nenad Trinajstić, Vukičević, Damir   +3 more
core   +1 more source

Polymeric Sorbents as Energy‐Efficient Alternative to Cryogenic Distillation for Light Hydrocarbon Purification

Advanced Materials, EarlyView.
The transition from cryogenic distillation to polymeric sorbents for light hydrocarbon purification is crucial for energy and environmental sustainability. The polymeric sorbents are engineered to separate gas mixtures based on their specific properties.
Kelechi Festus, Ankit Mondal, Suman Mandal, Jazmine Aiya D. Marquez, Arnab Ghosh, Aishi Sikdar, Urme Podder, Ahana Sarkar, Qingsheng Wang, Hong‐Cai Zhou   +9 more
wiley   +1 more source

On the vertex-degree based invariants of digraphs [PDF]

Discrete Mathematics Letters, 2021
Hanyuan Deng, Zikai Tang, Jiaxiang Yang, Jing Yang, Meiling You   +4 more
doaj   +1 more source

On large trees with minimal atom-bond connectivity index,

, 2013
In the class of Kragujevac trees, the elements having minimal atom-bond connectivity index are determined. By this, an earlier conjecture [MATCH Commun. Math. Comput. Chem.
Mohammad B Ahmadi, Seyyed A Hosseini, Ivan Gutman   +2 more
core