Results 91 to 100 of about 18,171 (291)
Testing the quality of molecular structure descriptors. Vertex-degree-based topological indices [PDF]
Journal of the Serbian Chemical Society, 2013 The correlation ability of 20 vertex-degree-based topological indices, occurring in the chemical literature, is tested for the case of standard heats of formation and normal boiling points of octane isomers. It is found that the correlation ability of
Gutman Ivan, Tošović Jelena
doaj +1 more source
Tight-binding study of structure and vibrations of amorphous silicon
, 2004 We present a tight-binding calculation that, for the first time, accurately describes the structural, vibrational and elastic properties of amorphous silicon.
D. Papaconstantopoulos +6 more
core +1 more source
Photoswitching Conduction in Framework Materials
Advanced Functional Materials, EarlyView.This mini‐review summarizes recent advances in state‐of‐the‐art proton and electron conduction in framework materials that can be remotely and reversibly switched on and off by light. It discusses the various photoswitching conduction mechanisms and the strategies employed to enhance photoswitched conductivity.
Helmy Pacheco Hernandez +4 more
wiley +1 more source
Degree-Based Topological Indices of Polysaccharides: Amylose and Blue Starch-Iodine Complex
Journal of Chemistry, 2021 Starch is a polymer of glucose where alpha-linkages are associated with glucopyranose units. It comprises a mixture of amylose and amylopectin. Furthermore, amylose is a linear chain of hundreds of glucose molecules.
Anam Rani, Usman Ali
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3D‐Printed Sulfur‐Derived Polymers With Controlled Architectures for Lithium‐Sulfur Batteries
Advanced Functional Materials, EarlyView.Rheology‐guided formulation design for direct ink writing enables the fabrication of 3D sulfur copolymer cathodes with controlled architectures for lithium‐sulfur batteries. The printed electrodes exhibit multiscale porosity and high sulfur utilization, delivering enhanced electrochemical performance compared to conventional cast electrodes.
Bin Ling +7 more
wiley +1 more source
On the Maximum ABC Index of Graphs With Prescribed Size and Without Pendent Vertices
IEEE Access, 2018 The atom-bond connectivity (ABC) index is one of the most actively studied degree-based graph invariants, which are found in a vast variety of chemical applications. For a simple graph G, it is defined as ABC(G) = Σuv∈E(G)((d(u) + d(v) - 2)/
Zehui Shao +4 more
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MOFs and COFs in Electronics: Bridging the Gap between Intrinsic Properties and Measured Performance
Advanced Functional Materials, EarlyView.Metal‐organic frameworks (MOFs) and covalent organic frameworks (COFs) hold promise for advanced electronics. However, discrepancies in reported electrical conductivities highlight the importance of measurement methodologies. This review explores intrinsic charge transport mechanisms and extrinsic factors influencing performance, and critically ...
Jonas F. Pöhls, R. Thomas Weitz
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Computing multiple ABC index and multiple GA index of some grid graphs
Open Physics, 2018 Topological indices are the atomic descriptors that portray the structures of chemical compounds and they help us to anticipate certain physico-compound properties like boiling point, enthalpy of vaporization and steadiness.
Gao Wei +3 more
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On Topological Indices of Certain Families of Nanostar Dendrimers
Molecules, 2016 A topological index of graph G is a numerical parameter related to G which characterizes its molecular topology and is usually graph invariant. In the field of quantitative structure-activity (QSAR)/quantitative structure-activity structure-property ...
Mohamad Nazri Husin +3 more
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Multiscale Structuring of Hydroxyapatite via Two‐Photon Lithography of Nanocomposites
Advanced Functional Materials, EarlyView.Hydroxyapatite scaffolds are of great interest in bone tissue engineering applications, ranging from 3D cell culture to regenerative medicine. Using two‐photon lithography of a transparent nanocomposite, hydroxyapatite microstructures with features ranging from submicron to centimeter‐scale are fabricated. This allows to mimic the natural bone geometry,
Leonhard Hambitzer +6 more
wiley +1 more source