Structural analysis may be performed by tests on the actual structure, on a physical model of the structure to some scale, or through the use of a mathematical model. Tests on an actual structure are performed in those cases where many similar structures will be produced, for example, automobi...
Two-dimensional zeolite MFI nanosheets show ultra-selective separation of xylene isomers, but it was not known why this occurs. Here, using electron microscopy and atomistic simulation, it is shown that one-dimensional intergrowths of zeolite MEL enable selectivity by formation of more rigid pores....
Journal of Organometallic ChemistryJalbout AF,Hameed AJ,Essa AH. Structural isomers of 2-(2,3 and 4-substituted-phenyl)-1,2-benzisoselenazol-3(2H)-one: A theoretical study[J].Journal of Organometallic Chemistry 2008,12(12).Jalbout AF,Hameed AJ,Essa AH.Structural isomers of2-(2,3and4-...
The rod-like trans-isomers stabilize the liquid crystalline phases, whereas cis-isomers perturb the molecular alignment, causing shape deformations. The initial liquid crystalline is recovered through thermal back cis–trans isomerization when exposed to light irradiation of 450–550 nm. Particularly, ...
The 20 isomers with the lowest energy at each size were selected for the next stage of higher-level structure optimization, which is B3LYP functional42 and 6-311g(d) basis set40. The dependability of this level of theory is verified by the results shown in other magnesium-based cluster ...
Chemistry of semiconductor clusters: Reactions of Si sub n sup + (n = 11-50) with C sub 2 H sub 4 show evidence for numerous structural isomers 来自 osti.gov 喜欢 0 阅读量: 27 作者:KM Creegan,Jarrold, M.F.摘要: The chemical reactions of Si{sub n}{sup +} (n = 11-50) with...
Free Ge n 2 anions are found to share the same geometries as naked Zintl anions observed in solids with a systematical expansion in bond lengths within about 5%. Intensive searches indicate that two isomers, a tricapped trigonal prism (D 3h ) and a slightly distorted tricapped trigonal prism...
Given that unsaturation in lipids play critical roles in their biochemical and biophysical properties, and many unsaturated fatty acids have multiple C=C location isomers fulfilling dis- tinct biological roles, it is of great importance to characterize unsaturated CEs at the structural level of C=C ...
Structural isomerism of colloidal semiconductor nanocrystals has been largely unexplored. Here, we report one pair of structural isomers identified for colloidal nanocrystals which exhibit thermally-induced reversible transformations behaving like molecu
(ERManI, EDEM1, EDEM2, and EDEM3) in the ER. In this step, ERManI and EDEM family proteins trim Manα1-2 residues from M9-glycoproteins (see Figure 2). A single mannose trimming reaction forms several M8 isomers, and each M8 isomer functions as a different signal for glycoprotein ...