The technetium-99m complex of the L,L-ethylenedicysteine diethylester (EC), of the brain imaging agent, was reported as a good choice for replacement of the renal nuclear medicines like OIH radiopharmaceutical. This present research work studies the structural, electronic and spectral properties of the EC compound and its complex with technetium-99m radionuclide from theoretical insight. All co...

To calculation non-bonded interaction of the [CoCl6]3- complex embedded in nano ring, we focus on the single wall boron-nitride B18N18 nano ring. Thus, the geometry of B18N18 nano ring has been optimized by B3LYP method with EPR-II (Electron paramagnetic resonance) basis set and geometry of the [CoCl6]3- complex has been optimized at B3LYP method with Aldrich’s VTZ basis set and Stuttgart RSC 1...

to calculation non-bonded interaction of the [cocl6]3- complex embedded in nano ring, we focus on the single wall boron-nitride b18n18 nano ring. thus, the geometry of b18n18 nano ring has been optimized by b3lyp method with epr-ii (electron paramagnetic resonance) basis set and geometry of the [cocl6]3- complex has been optimized at b3lyp method with aldrich’s vtz basis set and stuttgart rsc 1...

As cancer is the top killer diseases in the world, the scientists and researchers have been searching the new drugs and remedy methods. Most of the anticancer drugs are organic compounds which were approved by the FDA while metallodrugs are very rare. In the present time, some palladium and rhodium complexes are going to use as anticancer molecules. The palladium (II) complex has higher antican...

first-principle calculations were carried out to investigate the adsorption of co over cun nanoclusters. the structural, spectroscopic and electronic properties like optimized geometries, homo (highest occupied molecular orbital) and lumo (lowest unoccupied molecular orbital) energy levels, binding energy, adsorption energy, vibrational frequency and density of states (doss) of the pure cun nan...

This paper proposes the Face Multimedia Object (FMO), and iFACE as a framework for implementing the face object within multimedia systems. FMO encapsulates all the functionality and data required for face animation. iFACE implements FMO and provides necessary interfaces for a variety of applications in order to access FMO services.

The molecule-like structure of C isotopes (A = 12, 14, 16) is investigated using a microscopic α+α+α+n+n+·· model. The valence neutrons are classified based on the molecular-orbit (MO) model, and both π-orbit and σ-orbit are introduced around three α-clusters. The combination of the valence neutrons in the πand the σ-orbit is promising to stabilize the linear-chain state against the breathing a...

Several recent studies have shown that OOHhas no greater reactivity than oHin the gas phase. This is in striking contrast to the solution phase observation that OOHhas an enhanced nucleophilicity over oH(the "alpha-effect") . The gas-phase results were thought to put into jeopardy the FMO orbital-splitting explanation of the alpha-effect, since, it was reasoned, such an effect should be indepen...

A recently introduced empirical nucleophilicity index for a series of nand p-nucleophiles was evaluated. The index is based on the frontier molecular orbital information of the nucleophile and its electrophilic partner. The model is validated against kinetic data of alkenes, phosphanes, phosphites and amines interacting with the corresponding electrophilic partner. The predictive character of t...