Background: Gold nanoparticles are emerging as promising agents for cancer therapy and are being investigated as drug carriers, photothermal agents, contrast agents and radiosensitisers.Objective: The aim of this study is to understand characteristics of secondary electrons generated from interaction of gold nanoparticles GNPs with x-rays as a function of nanoparticle size and beam energy and ...

To get a mole of a gas, it is necessary to calculate the intermolecular interaction. Theseintermolecular interactions can be depicted by drawing the potential energy of a pair molecule inrelation to the distance. The intermolecular potential energy surface in the mixtures of CH4-H2COgases from ab initio calculations has been explored. In ab initio calculations the basis setsuperposition error (...

the conformational analysis of the organic compounds specially the biologically active natural products has attracted the consideration of different research groups. therefore, in the present study the mp2/6-311+g(d,p)//b3lyp/6-311+g(d,p) level of theory was used to study the conformations of dapdiamide d. the identity of interactions in selected conformers was studied using atom in molecule ap...

The bond-energy bond-order (BEBO) model of chemisorption allows an estimate to be made of the interaction energy between a gaseous specie and a solid surface as a function of either bond length or bond order, i.e., the length or order of either the gas-surface bond being formed or the bond of the gaseous molecule being broken. The relationship between bond energy and either bond length or bond ...

Different interaction models treating hadronic collisions below Elab<100 GeV in air shower simulations are compared within the frame of the CORSIKA program. Their behaviour is studied in isolated collisions of protons or pions with light-mass targets in comparison with experimental data. It is discussed how model properties influence air-shower parameters like the longitudinal profile or the la...

interactions. Schreiber and colleagues are using the multiplemutant cycle method to evaluate cooperativity of residue binding (Reichmann et al. 2005). With this method, the binding of two mutant proteins is measured individually and together; the interaction energy between the two proteins can then be determined by subtracting the free energy difference in the binding of a double-mutant protein...