Results 61 to 70 of about 4,883,559 (264)

Study of eccentricity based topological indices for benzenoid structure

South African Journal of Chemical Engineering, 2023
Topological indices play paramount role in defining chemical and structural properties of different compounds. Chemical graph theory is useful for predicting the bioactivity and physicochemical properties through numerical invariants.
Kamel Jebreen, Hifza Iqbal, Muhammad Haroon Aftab, Iram Yaqoob, Mohammed Issa Sowaity, Amjad Barham   +5 more
doaj   +1 more source

Bio‐Inspired Synthesis of Macroporous Single Crystal Particles as Scattering Agents

Advanced Functional Materials, EarlyView.
A general strategy is presented that delivers unique, single‐crystal microparticles that combine submicron macroporosity and uniform particle shapes. A bioinspired approach is used to occlude three distinct types of additives – polystyrene microspheres, polymer vesicles and amino acids – within calcite single crystals, and subsequent thermal annealing ...
Stephanie E. Foster, Gianni Jacucci, Ouassef Nahi, Thomas Kress, Zabeada Aslam, Stuart Micklethwaite, Alexander N. Kulak, Rik Drummond‐Brydson, Melinda J. Duer, Yi‐Yeoun Kim, Silvia Vignolini, Fiona C. Meldrum   +11 more
wiley   +1 more source

Maximal Unicyclic Graphs With Respect to New Atom-bond Connectivity Index

Acta Chimica Slovenica, 2013
The concept of atom-bond connectivity (ABC) index was introduced in the chemical graph theory in 1998. The atom-bond connectivity (ABC) index of a graph G defined as (see formula in text) where E(G) is the edge set and di is the degree of vertex v(i) of
Kinkar Ch. Das, Kexiang Xu, Ante Graovac
doaj  

Two Dimensional Descriptors Based on Degree, Neighborhood Degree, and Reverse Degree for HEX (Hexagonal) Lattice

Journal of Mathematics, 2022
Crystal structures are of great scrutiny due to the elegant and well-ordered symmetry that influences a significant role in determining numerous physical properties.
Asima Razzaque, Saima Noor, Salma Kanwal, Saadia Saeed   +3 more
doaj   +1 more source

Electrospun Wood‐Derived Biopolymers as Electrodes in Electrochemical Energy Storage Technologies

Advanced Functional Materials, EarlyView.
Electrospinning transforms wood‐derived cellulose and lignin into architecturally defined, binder‐free carbon electrodes with tuneable porosity and functionality. This review shows how fibre design enables decoupled charge and mass transport, enhancing performance across battery systems, while identifying key challenges in spinnability, scalability ...
Michael W. Thielke, Hattie R. Chisnall, Jesus Vazquez Chavez, Ana B. Jorge Sobrido   +3 more
wiley   +1 more source

Graph-theoretic and computational analysis of QSAR molecular descriptors for single chain diamond silicates

Discover Chemistry
This study presents a comprehensive graph-theoretic and computational analysis of Quantitative Structure–Activity Relationship (QSAR) molecular descriptors for Single Chain Diamond Silicates (CSn), a crucial class of silicate structures defined by their ...
S. Mohankumar, P. Sivakumar, S. Priyatharshni   +2 more
doaj   +1 more source

Topological Attributes of Silicon Carbide SiC4-IIi,j Based on Ve-Degree and Ev-Degree

Journal of Chemistry, 2022
The study of graphs containing edges and nodes is of great importance in science and in real life. Topological indices TIs are numerical parameters linked to chemical graphs used to estimate the biological, toxicological, and physical properties of ...
Abid Mahboob, Dalal Alrowaili, Sajid Mahboob Alam, Rifaqat Ali, Muhammad Waheed Rasheed, Imran Siddique   +5 more
doaj   +1 more source

Fourth Atom-Bond Connectivity Index of an Infinite Class of Nanostar Dendrimer D3[n]

, 2013
The atom-bond connectivity (ABC) index of a graph G is a connectivity topological index was defined as  where dv denotes the degree of vertex v of G. In 2010, M. Ghorbani et. al. introduced a new version of atom-bond connectivity index as  where  In this
Mohammad Reza Farahani
core   +1 more source

Structural Power Composites Based on High Mass Loading Zn‐Ion Hybrid Supercapacitors with Metal Mesh Current Collectors and Aramid Nanofiber/Glass Fiber Composite Electrolytes

Advanced Functional Materials, EarlyView.
A multifunctional structural power composite is developed by integrating high‐mass‐loading Zn‐ion hybrid supercapacitors with metal mesh current collectors and aramid nanofiber‐based composite electrolytes, enabling simultaneous load‐bearing capability and enhanced areal energy storage.
Yuseung Choi, Gilyong Shin, Hoyeon Lee, Eun Jae Nam, Byeong Jun So, Sungryul Yun, Fu‐Kuo Chang, Jei Gyeong Jeon, Tae June Kang   +8 more
wiley   +1 more source

Degree-Based Topological Indices of Boron B12

Journal of Chemistry, 2021
Topological index sometimes called molecular descriptor is a numerical value which associates a chemical composition for correlating chemical structure with numerous physical properties, chemical reactivity, or biological activity.
Nouman Saeed, Kai Long, Zeeshan Saleem Mufti, Hafsa Sajid, Abdul Rehman   +4 more
doaj   +1 more source