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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objective: this research was carried out as a greenhouse experiment in the form of a completely randomized factorial design (crd) in three-run sequences. the research aimed at investigating the impacts of nicosulfuron (cruz) and rimsulfuran (titus) residues on the growth of wheat in two soil types which differed in their levels of organic compounds and salinity. methods: treatment of the experi...

the n-(2-benzoyl-phenyl) oxalyl derivatives are important models for studying of three-centered intramolecular hydrogen bonding in organic molecules. the quantum theoretical calculations for two crystal structures of n-(2-benzoyl-phenyl) oxalyl (compounds i and ii) were performed by density functional theory (b3lyp method and 6-311+g* basis set). from the optimized structures, geometric paramet...

1Graduate Student, Department of Dental Materials and Prosthodontics, São José dos Campos Dental School, UNESP, São José dos Campos, São Paulo, Brazil. 2DDS, MSc, PhD Student, Department of Dental Materials and Prosthodontics, São José dos Campos Dental School, UNESP, São José dos Campos, São Paulo, Brazil. 3DDS, MS, PhD, Associate Professor, Department of Dental Materials and Prosthodontics, S...

to clarify the genetic relationships among the lidia breed lineages and two main portuguese lidia bovine populations, casta portuguesa and brava dos açores, 24 autosomal microsatellites were analyzed in 120 samples. brava dos açores showed the highest observed and expected heterozygosity (0.73 and 0.70, respectively) while casta portuguesa showed the lowest observed and expected heterozygosity ...