the investigation of different properties of si5o10 nano structure as a carrier for particles and drugs: a theoretical study

in the search for new drug and medication discovery, especially related to drug-receptor interaction, the importance of interaction among researchers is essential, either within the same room or dispersed throughout the world. an architecture that uses concepts of distributed multiuser virtual reality, computer-supported collaborative work, and world-wide network communication techniques for creating a high performance system that allows real-time interaction among various geographically dispersed research groups studying molecular visualization and using hardware systems ranging from desktop to immersive systems as caves is presented. density functional theory calculations are carried out to study the effects of binding some atoms and ions to si₅o₁₀ cave. binding energies, nbo, charge mullikan population parameters and homo- lumo gap energy were calculated. results from binding energies indicate that it is possible thermodynamically to bind some molecules and ions to si₅o₁₀ cave. the values of homo, lumo and homo–lumo gap energies are calculation for molecules and ions to si₅o₁₀ cave using m062x method and 6-31g* basis set. from homo–lumo gap calculation, it can be seen that homo- lumo gap energy of decrease in the order: si₅o₁₀ cave to h+ > si₅o₁₀ cave to he²⁺> si₅o₁₀ cave to d₂> si₅o₁₀ cave to h₂ and by decreasing of homo- lumo gap energy, would be more stable compound. so, h₂ beside si₅o₁₀ cave can act better as an electron donor. additionally, nbo, charge mullikan population parameters have been investigated. we arrive at the prediction that the si₅o₁₀ can be implemented as a novel material for some molecules, ions and drug delivery applications.