structure-property relationship
Structure property relationship of bio inspired fibrous materials
... Natural fibrous tissues exhibit excellent mechanical properties and functional behavior. These functional behaviors are desired in many recent designs such as soft robotic devices and tissue engineering application. A ...
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Structure-property relationship of nanoplatelet-reinforced polymer nanocomposites
... Based on the above findings, one would ask if the aspect ratio of the nanoplatelets becomes high and one of the dimensions is larger than the crack trip radius or when the interfacial adhesion between the matrix and the ...
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Quantitative structure property relationship (QSPR) model for predicting acidities of ketones
... Because ketones are so important both in nature and sci- ence and because experimental determination of pK a values is an exhausting process, the development of a computational model that can accurately predict their ...
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Structure–property relationship of recycled carbon fibres revealed by pyrolysis recycling process
... The structure-property relationship for recycled carbon fibres is investigated by characterisation of the structure changes induced by the pyrolysis recycling ...
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Aqueous Hydrocarbon Systems: Experimental Measurements and Quantitative Structure-property Relationship Modeling
... energy relationship (LSER) model [77, 78], computational chemistry models [79-84], and quantitative structure-property relationship (QSPR) models [81, 82, ...
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Formulation of Aqueous Dispersions of PEKK by a Quantitative Structure Property Relationship Approach and Application to Thermoplastic Sizing on Carbon Fibers
... Abstract: The development of formulations for thermoplastic sizing on carbon fibers requires water dispersions of small polymer particles (< 20 µm). PolyEtherKetoneKetone (PEKK) is a high-performance polymer used as a ...
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Quantitative structure-property relationship modelling of distribution coefficients (logD7.4) of diverse drug by sub-structural molecular fragments method
... CONCLUSION The applicability of ISIDA-QSPR for developing a logD7.4 was demonstrated using a set of sub-structural molecular fragments calculated from molecular structure. In this work, MLR modeling method was ...
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Structure-property relationship of polylactide/organoclay nanocomposites
... 1 Chapter 1 : Introduction 1.1 Background Most plastics are derived from non-renewable crude oil and natural gas resources. They are largely non-biodegradable and caused extensive environmental problems associated with ...
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Correlating Structure Property Relationship of Kevlars by Scattering and Birefringence
... linear relationship indicates that the behavior of the material (in general elastic behavior) on not big ...crystalline structure of the solid ...radial structure, Kevlar also exhibits lateral ...
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Synthesis of Ligands For Electronic and Magnetic Structure-Property Relationship Studies
... 2.1. Background Compounds with the same molecular formula but different electronic structure are sometimes called valence tautomers. Valence tautomerism is defined as a reversible intramolecular metal-ligand ...
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Machine learning methods for quantitative structure-property relationship modeling
... by structure or substructure of a molecule using an applet to draw the structure, searching a compound by name will not only query for the main name like before but also for synonyms and names that sound ...
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Structure-property relationship in core-shell rubber toughened epoxy nanocomposites
... layered structure nanofillers in the polymer matrix is very important to maximize the reinforcement by the nanofillers for the property improvement ...
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Solvent effects on the structure-property relationship of anticonvulsant hydantoin derivatives: A solvatochromic analysis
... Based on the estimated abilities of the compounds to interact with their environment, the relationship between specific interactions and the selected structural properties, which are related to ADMETox parameters, ...
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Quantitative structure–property relationship studies for the prediction of the vapor pressure of volatile organic compounds
... CONCLUSIONS Multiple linear regressions were used to construct a quantitative structure property relation model of 51 VOCs for their vapor pressures binding propriety. The model was developed by a genetic ...
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The Fabrication Of Polymer-derived Sicn/sibcn Ceramic Nanostructures And Investigation Of Their Structure-property Relationship
... a structure by the combination of Si and B with N or C where the diffusion coefficients of Si or B in the compounds are extremely ...amorphous structure could meet the requirements of durability while ...
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Experimental and theoretical study on the structure-property relationship of novel 1-aryl-3-methylsuccinimides
... Figure 2. Relationship between ν max and σ p + for the 1-aryl-3-methylsuccinimides 1–6 and 8–10. For electron-accepting substituents, linear correlations of the absorption wavenumbers, ν max , and the substituent ...
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Quantitative Structure-Property Relationship Modeling & Computer-Aided Molecular Design: Improvements & Applications
... 3D structure to be manually reinitialized to a different starting conformation each time before ...particular structure and for such structures the missing descriptors were assigned a zero ...
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Predeiction of ∆H0f(gas) ,∆H0f(Liq) of Amines Derivatives Using chemometrics (A Quantitative Structure-Property Relationship Study)
... chemical structure and an effective computational method in which the model is ...molecules structure and their properties which could predict continuous variables such as boiling point, enthalpy of ...
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Probing the structure property composition relationship in organic inorganic tri halide perovskites
... 18 Interestingly, the best photovoltaic performance was obtained at intermediate compositions (x = 0.15) indicating that tailoring the composition is required to tune parameters such as band gap, absorption coefficient, ...
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The relationship between capital structure and ownership structure
... financial health or dividend related issues, to call urgency on the short-term basis. Results are also in the favour of the paper, as there is positive relationship of dividends with the standards and tools of ...
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