Metallo-Antiaromatic Al4Na4 and Al4Na3- Compounds: A Theoretical Investigation
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چکیده
منابع مشابه
the investigation of the relationship between type a and type b personalities and quality of translation
چکیده ندارد.
Theoretical Investigation of Interaction between 5-Fluorouracil Anticancer Drug with Various Nitrosamine Compounds
We present detailed theoretical studies of the H-bonded complexes formed from interaction between 5-fluorouracil and various six-membered cyclic nitrosamine compounds. In this study, an investigation on intermolecular interactions in X-NU (X = CH2, SiH2,BH, AlH, NH, PH, O and S) complexes is carried out using density functional theory. The calculations are conducted on B3L...
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Aromaticity is a key concept in organic chemistry. Even though this concept has already been theoretically extrapolated to three dimensions, it usually still remains restricted to planar molecules in organic chemistry textbooks. Stacking of antiaromatic π-systems has been proposed to induce three-dimensional aromaticity as a result of strong frontier orbital interactions. However, experimental ...
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There is probably no other single molecule that has fascinated experimental and theoretical chemists so consistently over the past 40 years as has cyclobutadiene (CBD). On average, 16 publications which deal, in one form or another, with the parent compound C4H4 and 40 which deal with cyclobutdienes in general have appeared in every year of this time span, and there are probably many more on de...
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ژورنال
عنوان ژورنال: The Journal of Physical Chemistry A
سال: 2004
ISSN: 1089-5639,1520-5215
DOI: 10.1021/jp0370122