Results 71 to 80 of about 17,914 (270)

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

EXTREMAL ATOM-BOND CONNECTIVITY INDEX OF CACTUS GRAPHS

Communications of the Korean Mathematical Society, 2015
Abstract. The atom-bond connectivity index of a graph G(ABC indexfor short) is defined as the summation of quantitiesq d(u)+d(v)−2d(u)d(v) overall edges of G. A cactus graph is a connected graph in which every blockis an edge or a cycle. The aim of this paper is to obtain the first andsecond maximum values of the ABC index among all n vertex cactusgraphs.
ALI REZA ASHRAFI, TAYEBEH DEHGHAN-ZADEH, NADER HABIBI   +2 more
openaire   +2 more sources

Near‐Infrared Emitting Lanthanide Catecholate Giant Single Crystals – Morphology Control and Photon Down‐Conversion

Advanced Functional Materials, EarlyView.
Controlled syntheses of lanthanide coordination polymers based on the dihydroxybenzoquinone (DHBQ) organic linker afforded large single crystals of Ln‐DHBQ CPs (Ln = Yb, Nd). A novel structural variant of Yb‐DHBQ is identified by means of single crystal diffraction analysis.
Marina I. Schönherr, Alexander Biewald, Andre Mähringer, Thaddäus J. Koller, Peter Mayer, Markus Döblinger, Achim Hartschuh, Dana D. Medina   +7 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

Monte Carlo algorithm based on internal bridging moves for the atomistic simulation of thiophene oligomers and polymers

, 2018
We introduce a powerful Monte Carlo (MC) algorithm for the atomistic simulation of bulk models of oligo- and poly-thiophenes by redesigning MC moves originally developed for considerably simpler polymer structures and architectures, such as linear and ...
Mavrantzas, Vlasis G., Peristeras, Loukas D., Peroukidis, Stavros D., Tsourtou, Flora D.   +3 more
core   +2 more sources

Substrate Stress Relaxation Regulates Cell‐Mediated Assembly of Extracellular Matrix

Advanced Functional Materials, EarlyView.
Silicone‐based viscoelastic substrates with tunable stress relaxation reveal how matrix mechanics regulates cellular mechanosensing and cell‐mediated matrix remodelling in the stiff regime. High stress relaxation promotes assembly of fibronectin fibril‐like structures, increased nuclear localization of YAP and formation of β1 integrin‐enriched ...
Jonah L. Voigt, Jens Timmer, Elisabetta Ada Cavalcanti‐Adam   +2 more
wiley   +1 more source

Computing Fourth Atom-bond Connectivity Index of V-Phenylenic Nanotubes and Nanotori

Acta Chimica Slovenica, 2013
Among topological descriptors connectivity topological indices are very important and they have a prominent role in chemistry. One of them is atom-bond connectivity (ABC) index defined as ABC(G)= [formula:see text], in which degree of vertex v denoted ...
Mohammad Reza Farahani
doaj  

Composites of Shellac and Silver Nanowires as Flexible, Biobased, and Corrosion‐Resistant Transparent Conductive Electrodes

Advanced Functional Materials, EarlyView.
Shellac, a centuries‐old natural resin, is reimagined as a green material for flexible electronics. When combined with silver nanowires, shellac films deliver transparency, conductivity, and stability against humidity. These results position shellac as a sustainable alternative to synthetic polymers for transparent conductors in next‐generation ...
Rahaf Nafez Hussein, Tiago Carneiro Gomes, Eliza Ng, Simon Rondeau‐Gagné, Tricia Breen Carmichael   +4 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

On‐Surface Indigo‐Based Bimolecular Coordination Networks with Programmable Regular or Vitreous Structure

Advanced Functional Materials, EarlyView.
A previously unreported coordination motif stabilising single Fe atoms by indigo chelation and pyridyl coordination on Au(111) has been revealed. By using planar tritopic pyridyl linkers (TPyB), extended 2D porous networks of indigo3(TPyB)2Fe6 form. These networks can be crystalline or vitreous and offer an environment where individual coordination ...
Hongxiang Xu, Ritam Chakraborty, Biao Yang, Dennis Meier, Joachim Reichert, Svetlana Klyatskaya, Mario Ruben, Shobhana Narasimhan, Johannes V. Barth, Anthoula C. Papageorgiou   +9 more
wiley   +1 more source