Zobrazeno 1 - 4
of 4
pro vyhledávání: '"Karim Dinar"'
Publikováno v:
New Journal of Chemistry. 40:4781-4792
The charge transfer complexes of the donor 4-isopropyl-2-benzyl-1,2,5-thiadiazolidin-3-one1,1-dioxide (SF) with π acceptors 2,3-dichloro-5,6-dicyano-1,4-benzoquinone (DDQ) and tetracyanoethylene (TCNE) have been studied spectrophotometrically in chl
Publikováno v:
Structural Chemistry. 26:61-69
Host–guest interactions between β-cyclodextrin and diclofenac were simulated using the semi-empirical PM3, PM6, and ONIOM (B3LYP/3-21g: PM3 and B3LYP/3-21g: PM6) methods. The binding energy and the total stabilization energy (EONIOM) were used to
Publikováno v:
Chemical Physics Letters. :113-120
Host–guest interactions of a series of N-sulfamoyloxazolidinones with β-cyclodextrin have been investigated with molecular modeling, using PM3, PM6, ONIOM/2 methods, and NBO analysis. The complexes stabilities are influenced by the orientation and
Publikováno v:
2013 5th International Conference on Modeling, Simulation and Applied Optimization (ICMSAO).
The inclusion interactions between β-cyclodextrin (β-CD) and diclofenac (DCF) were simulated using the semiempirical PM3 and ONIOM (B3LYP/3-21g: PM3) methods. The modeling results showed that the most stable geometry of DCF into β-CD complex is B