Molecular Transport and Reactivity in Confinement
نویسندگان
چکیده
........................................................................................................................... 16 Chapter
منابع مشابه
Theoretical Study on the Chemical Reactivity in the Armchair Single-walled Carbon Nanotube: Proton and Methyl Group Transfer
Proton transfer (PT) and methyl group transfer (MGT) occurring in small biomimetic systems, Formamide-Formamidic acid (FA-FI), and N-formyl-N-methylformamide-(E)-methyl N-formylformimidate (NMFA-NMFI) are investigated in the gas phase and in single-walled carbon nanotubes by using the density functional theory and the ONIOM approach. It is shown that PT reaction is disfavoured in single-walled ...
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The study on the ecophysiological impacts of stress in female Persian sturgeon broodfishes revealed that the average cortisol level varried in all broodfish caught at the Sefidrud River (163.38±21.2ng mL-1), Sefidrud River estuary (260.27±19.7ng mL-1) and Gorganrud River estuary (179.38±20.8ng mL-1). The variations in serum glucose levels were 140.65±12.05mg dL-1, 144.44±5.9mg dL-1 and 126.24±1...
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Background: Several studies reported the clinical features of IgE-mediated hypersensitivity after ingestion of melon. Melon allergy is a common IgE-mediated fruit allergy in Iran. This prompted us to investigate immunochemical and molecular properties of the major allergen in melon fruit, to compare the IgE-binding capacity of the natural protein with the recombinant allergen, and to determine ...
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The purpose of the present research work is prediction of electronic and physico-chemical properties of the novel medicinal compound Ticagrelor (AZD6140) using density functional theory (DFT) method. Firstly, its molecular structure was optimized at B3LYP/6-311++G(d,p) basis set of theory at room temperature. The global reactivity indices used to study the reactivity and stability of the title ...
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The study on the ecophysiological impacts of stress in female Persian sturgeon broodfishes revealed that the average cortisol level varried in all broodfish caught at the Sefidrud River (163.38±21.2ng mL-1), Sefidrud River estuary (260.27±19.7ng mL-1) and Gorganrud River estuary (179.38±20.8ng mL-1). The variations in serum glucose levels were 140.65±12.05mg dL-...
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