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Key IT components for molecular engineering include public and proprietary databases containing information on molecular structures and properties and computational models capable of calculating global properties of molecular structures based on structural and other descriptors characterizing the compound.
Anthraquinone dye, any of a group of organic dyes having molecular structures based upon that of anthraquinone.
Triphenylmethane dye, any member of a group of extremely brilliant and intensely coloured synthetic organic dyes having molecular structures based upon that of the hydrocarbon triphenylmethane.
The carboranes have polyhedral molecular structures based on networks of boron and carbon atoms, in which the carbon atoms occupy adjacent positions.
For these reasons, researchers have started to investigate the formation of TPs and have proposed molecular structures based on mass spectrometry [9], especially TPs formed after ozonation [10] which is one of the most studied tertiary water treatments.
This study was devoted to develop the quantitative relationship model between the superheat limit temperature of binary mixtures and their molecular structures based on the quantitative structure-property relationship.
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A series of polypropylene-g-poly ethylene-co-1-butene) graft copolypropylene-g-poly ethylene-co-1-buteneg chain branched (LCB) molecular structures, basing on the same polypropylene-g-poly ethylene-co-1-buteneudy effects of EBR LCBs on the crystallization and foaming behaviors of polypropylene-g-poly ethylene-co-1-butene
Several polypropylene-g-polystyrene (PP-g-PS) and polypropylene-g-poly n-butyl acrylate) (polypropylene-g-poly n-butylwith well-defined molecular structures, basing on the same polypropylene-g-poly n-butylsized via a combination of metallocene-catalyzed polypropylene-g-poly n-butyl
About the same time another American scientist, Robert S. Mulliken, was developing an alternative theory of molecular structure based on what he called molecular orbitals.
Molecular structure based study of liquid molar volume can be helpful in better understanding of liquid behaviors among a wide variety of scientific phenomena.
The StrucEluc system was also enhanced by adding an algorithm to allow the determination of 3D model and the relative stereochemistry of a molecular structure based on nuclear Overhauser effect constraints.
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