Simulating Electronic Structure of Condensed Adamantane
نویسندگان
چکیده
منابع مشابه
Altering the electronic properties of adamantane through encapsulating small particles
The stability,optimized structure,binding energy,dipole moment and electronic gap of adamantane, C10H16,incorporating cage-centered small atoms and ions (X@cage, where X = Li, Be, Na, Mg, He, and Ne) have been studied at the B3LYP hybrid level of theory. A wide variety of atoms and ions can be encapsulated by adamantane. The complexes are more stable for smaller and more highly charged metallic...
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Depolymerization reactions of organostibonic acids with protic ligands have been investigated. Reaction of arylstibonic acids with 8-hydroxyquinoline (8-HQ), or {2-[1H-pyrazol-5(3)-yl]naphthalene-1-ol} (H(2)naphpz) in a 1 : 1 stoichiometry in refluxing toluene affords adamantane-like L(4)(RSb)(4)O(6) clusters [(p-XC(6)H(4)Sb)(4)(O)(6)(Q)(4)] (where X = Cl (1), Br (2), QH = 8-hydroxyquinoline), ...
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ژورنال
عنوان ژورنال: Procedia Engineering
سال: 2012
ISSN: 1877-7058
DOI: 10.1016/j.proeng.2012.01.1315