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...

the interaction of a nitrosyl hydride (hno) molecule with b12n12 nanocage was explored by means of density functional calculations. it was found that hno prefers to be adsorbing on a boron atom of the cage with adsorption energy of -0.65 ev. this adsorption process significantly shifts the homo-lumo gap (eg) of the cage to lower energies, thereby reducing eg of the cage from 6.84 to 2.45 ev. ti...

. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . xv CHAPTER 1. DENIAL OF SERVICE ATTACKS . . . . . . . . . . . . . . . 1 1.1 The Increasing Threat of DoS Attacks . . . . . . . . . . . . . . . . . . . . . . . 1 1.2 Roots of the DoS Problem . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 2 1.3 Classification of DoS Attacks . . . . . . . . . . . . . . . . . ....

the effect of impurities on quantum chemical parameters of single-walled nanotubes (swnts) was studied using density functional theory (dft). the density of states (dos), fermi energy and thermodynamic energies of (5,5) carbon nanotubes were calculated in the presence of nitrogen impurity. it was found that this nanotube remains metallic after being doped with one nitrogen atom. the partial den...

in this study the hardness swct was calculated with b3lyp,hf method and 3-21g,6-31g,6-311g basis set .then it was investigated with the best method(b3lyp) and basis set(6-31g) to study the adsorption effects co2 on the hardness of swcnt with gap homo-lumo in two shape: horizontal, vertical and top-center-bridge and we also provide the effects of co2 adsorption on the electronic properties(dos) ...

in present work, we have calculated the electronic properties including density of states and electron density for gan, inn and inxga1-xn  in wurtzite phase for x=0.5. the study is based on density functional theory with full potential linearized augmented plane wave method by generalized gradient approximation for calculating electronic properties. in this report we concluded that inxga1-xn ba...

VANET (Vehicular Ad-hoc Network) which is a hy- brid network (combination of infrastructure and infra- structure-less networks) is an emergent technology with promising future as well as great challenges especially in security. By the other hand this type of network is very sensible to safety problem. This paper focuses on a new mechanism for DoS (denial of service) attacks on the physical and ...

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