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Influence of the metal ions on the charge transfer states in the G-octet-metal ion complexes
(Serbian Chemical Society, 2019)
In this work, we study G-octet-metal ion complexes which act as models for the G-quadruplex supramolecular arrangement within DNA. We used DFT based molecular dynamics (BLYP-D3/DZVP+PW+GTH) for configuration sampling ...
Study of phenol and toluene stacking interactions, including interactions at large horizontal displacements, in crystal structures and calculated potential energy surfaces
(Serbian Chemical Society, 2019)
Here, we searched the Cambridge Structural Database to find interactions of stacking benzene, p-phenol and toluene dimers. Beside this, we calculated interaction energies of phenol and toluene dimers and compared with ...
The effect of chlorine dioxide on organophosphorous pesticide degradation
(Serbian Chemical Society, 2019)
This study investigates degradation of organophosphorus pesticide, such as fenitrothion, with chlorine dioxide in deionized water and in real water system (water from River Sava).
Properties of nanocomposites based on polyurethanes and mesoporous silica nanoparticles
(Serbian Chemical Society, 2019)
A series of three polyurethane nanocomposites using mesoporous silica nanoparticles (PU-MSNs) was prepared from Boltorn® hydroxy-functional hyperbranched polyester of the second pseudo generation as a cross-linking agent ...
Amyloid PDB structure set
(Serbian Chemical Society, 2019)
Amyloids are insoluble proteins of a cross-β structure found as deposits in many diseases. They are largely examined structurally, but there is a lack of a unique structural database for amyloid proteins resolved with ...