منابع مشابه
Electronic Structure of the Cubic Compounds ReGa3 (Re = Er, Tm, Yb, and Lu)
The electronic structure of ErGa3 and its isostructural compounds with Tm, Yb, and Lu are investigated with a highly accurate band structure scheme in LDA and GGA and warped muffin-tin approximation. In contrast to other investigations, the 4f electrons of the constituent Re are also treated as part of the valence bands. The position of the corresponding 4f bands relative to the Fermi energy EF...
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We use first-principles density functional theory within the local density approximation to ascertain the ground state structure of real and theoretical compounds with the formula ABS3 (A = K, Rb, Cs, Ca, Sr, Ba, Tl, Sn, Pb, and Bi; and B = Sc, Y, Ti, Zr, V, and Nb) under the constraint that B must have a d(0) electronic configuration. Our findings indicate that none of these AB combinations pr...
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Transition metal compounds are well documented to have diverse applications such as in catalysis, light-emitting materials and therapeutics. In the areas of photocatalysis and photodynamic therapy, metal compounds of heavy transition metals are highly sought after because they can give rise to triplet excited states upon photoexcitation. The long lifetimes (more than 1 μs) of the triplet states...
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The science and art of making beer, likely the oldest liquid fermented by humans, stretches over millennia. Production typically involves boiling beer wort together with hops, which acts as a natural preservative, but the generated iso-a-acids are known to be prone to decomposition, and consequently, more stable reduced hops extracts, such as the tetrahydro-iso-a-acids, have been developed. The...
متن کاملcomparison of catalytic activity of heteropoly compounds in the synthesis of bis(indolyl)alkanes.
heteropoly acids (hpa) and their salts have advantages as catalysts which make them both economically and environmentally attractive, strong br?nsted acidity, exhibiting fast reversible multi-electron redox transformations under rather mild conditions, very high solubility in polar solvents, fairly high thermal stability in the solid states, and efficient oxidizing ability, so that they are imp...
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ژورنال
عنوان ژورنال: Physical Review Letters
سال: 1999
ISSN: 0031-9007,1079-7114
DOI: 10.1103/physrevlett.83.3900