The insertion of an olefinic C=C bond into a metal-carbon bond is of potential interest as a preparativeroute to new products and as results of C-C coupling reactions to organic compounds. The allyl compoundsof ...

The term electronegativity .was introduced by Linus Pauling, who characterized on the basis ofthermodynamic data from the energies of the single bonds. In present study, the Density Functional Theory(DFT) was ...

Over the past decade, the chemical behavior of flavonoids as antioxidants has become the subject ofintense experimental research. In this paper, we use a quantum-chemical approach to shed light on thereactivity ...

Heterogeneous catalytic hydrogenation of cyclohexene, catalyzed by Pt/A1203, was carried out in thirteenvarious solvents (four alcoholic solvents, six aprotic polar solvents and three non polar solvents) at 25 °C.

Potassium Channels allow potassium flux and are essential for the generation of electric current acrossexcitable membranes. Potassium Channels are also the targets of various intracellular controlmechanisms; ...

Density functional theory (DFT) calculations have been performed to investigating the effects of themolecular oxygen impurity on the quadrupole coupling constant (Qcc) parameters of armchair and zigzagboron ...

Adsorption capacity of 4-chloro-2-nitrophenol (4C2NP) onto nano-Ti02 from aqueous solutions wasinvestigated in a batch system by considering the effects of various parameters like contact time, nano-TiO2 dosage, ...

Two bonding models i.e cumullenic and acetylenic models have been proposed to account for thebonding patterns in linear carbon clusters while the bonding patterns in cyclic and 3D geometrieS of theseclusters ...