Results 21 to 30 of about 10,471,452 (238)
Identifying Structure-Property Relationships through SMILES Syntax Analysis With Self-Attention Mechanism [PDF]
, 2018 Recognizing substructures and their relations embedded in a molecular structure representation is a key process for structure-activity or structure-property relationship (SAR/SPR) studies.
Jun, Xu +3 more
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, 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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, 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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Meso-design of heterogeneous dielectric material systems: Structure property relationships [PDF]
Journal of Advanced Dielectrics, 2014 Heterogeneous materials are inherently dielectric, and charge distribution and transport in such materials involves complex local fields and polarizations that are remarkably sensitive to morphology and the interaction of conduction and permittivity ...
Jeffrey Baker +5 more
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Mapping temperature-dependent energy-structure-property relationships for solid solutions of inorganic halide perovskites [PDF]
, 2020 Formation of solid solutions with complex compositions has been exhaustively adopted in materials research for improving the chemical and physical properties.
Yang, J ; https://orcid.org/, Jack, Yang
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Organic Materials, 2021 A series of simple ditopic hydrogen-bonding-capable molecules functionalized with 2,4-diamino-1,3,5-triazine (DAT), barbiturate (B), and phthalhydrazide (PH) on both termini of a 2,2′-bithiophene linker were designed and synthesized.
Asmerom O. Weldeab +9 more
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Crystallography of Functional Materials
Crystals, 2017 The goal of this special issue is to obtain new insights into the roles of crystallography in functional materials. This special issue consists of eight papers illustrating the structure and property relationships, as well as applications of selected ...
Winnie Wong-Ng, Claudia J. Rawn
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Nanoporous Cyanate Ester Resins: Structure-Gas Transport Property Relationships
Nanoscale Research Letters, 2017 This contribution addresses the relationships between the structure and gas transport properties of nanoporous thermostable cyanate ester resins (CERs) derived from polycyclotrimerization of 1,1′-bis(4-cyanatophenyl)ethane in the presence of 30 or 50 wt%
Kristina Gusakova +8 more
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, 2022 S.198-204 : Abb.,Tab.Quantitative Structure-Activity Relationships (QSARs) are derived to predict oral toxicity data of aliphatic amines and anilines for rats.
Klein, W., Jäckel, H.
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Characterization of Phenolic Acid Antimicrobial and Antioxidant Structure–Property Relationships
Pharmaceutics, 2020 Plant-derived phenolic acids (PAs) are small molecules with antimicrobial, antioxidant, anti-inflammatory, and pro-coagulant properties. Their chemistry enables facile potential incorporation into biomaterial scaffolds to provide naturally-derived ...
Jingyi Liu +3 more
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