Hetero-polycyclic aromatic systems: A data-driven investigation of structure–property relationships [PDF]
Beilstein Journal of Organic ChemistryPolycyclic aromatic systems (PASs) are pervasive compounds that have a substantial impact in chemistry and materials science. Although their specific structure–property relationships hold the key to the design of new functional molecules, a detailed ...
Sabyasachi Chakraborty +2 more
doaj +2 more sources
Exploration of Structure-Property Relationships [PDF]
CHIMIA, 2001 Electrostriction and elasticity provide highly sensitive probes for the exploration of structure-property relationships. With the aid of modern high-resolution capacitive dilatometers reliable linear and quadratic electrostrictive constants can ...
Jürgen Schreuer
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Theoretical Understanding of Structure-Property Relationships in Luminescence of Carbon Dots [PDF]
, 2021 Carbon dots (CDs) have excellent luminescence characteristics, such as good light stability, high quantum yield (QY), long phosphorescence lifetime, and a wide emission wavelength range, resulting in CDs' great success in optical applications ...
Tang, Zhiyong +4 more
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Raw Data: Structure-Property [PDF]
, 2022 This dataset provides raw data to reproduce the structure-property relationships.
Atul Chauhan (11771060)
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The Influence of molecular design on structure-property relationships of a supramolecular polymer prodrug [PDF]
, 2022 Supramolecular self-assemblies of hydrophilic macromolecules functionalized with hydrophobic, structure-directing components have long been used for drug delivery.
Joakim, Engström +7 more
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Viologen Hydrothermal Synthesis and Structure-Property Relationships for Redox Flow Battery Optimization [PDF]
, 2023 Aqueous organic redox flow batteries (AORFBs) are an emerging technology for fire safe grid energy storage systems with sustainable material feedstocks.
HongHao, Liu +5 more
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Chemical structure-property relationships of alkali-activated aluminosilicate polymeric materials for the development of sustainable construction materials [PDF]
, 2022 Wagner, Norman J.Traditional cement production and usage has an incredibly large carbon footprint: up to 1 ton of CO2 is emitted per ton of cement produced, and over 4 billion tons of cement are produced globally each year.
Mills, Jennifer N.
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Structure-property relationships in complex oxides: lattice distortions, excess charges, and small polarons [PDF]
, 2022 Janotti, AndersonMetal oxides form a large family of solids with diverse crystal structures and properties, that includes semiconductor, insulator, metal, superconductors, ferroelectric, magnetic, and multiferroic materials. They have been explored for a
Laraib, Iflah
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Quantitative Structure-Property Relationships (QSPR) to Predict Surface Tension and Electrical Conductivity of Ionic Liquid Propellants [PDF]
, 2023 Quantitative structure property relationships (QSPR) mine data sets of experimentally measured properties to predict different material properties through mathematical regression and machine learning.
Steven D., Chambreau +4 more
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Interpretable Deep-Learning Unveils Structure-Property Relationships in Polybenzenoid Hydrocarbons [PDF]
, 2022 In this work, interpretable deep learning was used to identify structure-property relationships governing the HOMO-LUMO gap and relative stability of polybenzenoid hydrocarbons (PBHs). To this end, a ring-based graph representation was used.
Alex M., Bronstein +3 more
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