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Published in 2018 at "Theoretical Chemistry Accounts"
DOI: 10.1007/s00214-018-2373-2
Abstract: Using periodic density functional theory combined with advanced dispersion correction schemes, the adsorption of NO, NO2, CO, H2O and CO2 has been investigated for various cation-exchanged faujasite zeolites. In the context of preventing harmful releases…
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Keywords:
adsorption;
no2 h2o;
adsorption no2;
h2o co2 ... See more keywords
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Published in 2017 at "Polyhedron"
DOI: 10.1016/j.poly.2017.04.041
Abstract: Abstract Five uranyl methacrylate complexes with monovalent cations have been synthesized via isothermal room temperature evaporation. The crystal structures of these compounds, [Li(H2O)2][UO2(macr)3]·2Hmacr (1, macr denotes the methacrylate anion CH2 C(CH3)COO−), Na[UO2(macr)3]·H2O (2), Rb[UO2(macr)3] (3),…
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Keywords:
uranyl methacrylate;
uo2 macr;
methacrylate complexes;
macr ... See more keywords
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Published in 2017 at "Bioscience Reports"
DOI: 10.1042/bsr20170771
Abstract: G-quadruplexes are special structures existing at the ends of human telomeres, the folding kinetics of which are essential for their functions, such as in the maintenance of genome stability and the protection of chromosome ends.…
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Keywords:
induced quadruplexes;
effects monovalent;
quadruplex folding;
cations folding ... See more keywords