نتایج جستجو برای: total density of state
تعداد نتایج: 21272679 فیلتر نتایج به سال:
objective(s): adsorption of immucillin-a (bcx4430) molecule on the pristine and n-doped tio2 anatase nanoparticles were studied using the density functional theory (dft) calculations. the adsorption energy analysis indicated that tio2+immucillin-a complexes including oc-substituted tio2 have higher adsorption energy than the complexes with ot substituted tio2, thus providing more stable configu...
we have performed density functional theory investigations on the adsorption properties of ammonia molecule on the undoped and n-doped tio2 anatase nanoparticles. we have geometrically optimized the constructed undoped and n-doped nanoparticles in order to fully understand the adsorption behaviors of ammonia molecule. for tio2 anatase nanoparticles, the binding site is preferentially located on...
the high pressure behavior of the structural and electronic properties of kc1 is studied with use of the density functional pseudopotential method within local-density approximation. atzero pressure, the rocksalt phase is found to be lower in energy than cscl structure. however, we predict a phase transition into csci structure at a pressure of about 1.5 gpa. the calculated ground state propert...
abstract: about 60% of total premium of insurance industry is pertained?to life policies in the world; while the life insurance total premium in iran is less than 6% of total premium in insurance industry in 2008 (sigma, no 3/2009). among the reasons that discourage the life insurance industry is the problem of adverse selection. adverse selection theory describes a situation where the inf...
Introduction: Prostatic specific antigen (PSA) is an excellent tumor marker, but it is not specific for prostate cancer. We evaluated the accuracy of PSA adjusted for transition zone volume calculated by transrectal ultrasonography in predicting prostate cancer in men compared with PSA density. Material and Methods: PSA adjusted for transition zone volume was obtained from 100 patients who u...
learning a second or foreign language requires the manipulation of four main skills, namely, listening, reading, speaking, and writing which lead to effective communication. it is obvious that vocabulary is an indispensible part of any communication, so without a vocabulary, no meaningful communication can take place and meaningful communication relies heavily on vocabulary. one fundamental fac...
progressive loss of bone mineral density around the femora! component of total hip replacement continues to pose a threat to long term prosthetic survival. a linear study was undertaken to measure bone mineral density on a monthly basis following total hip arthroplasty in 11 male patients. the opposite femur was used as the control measurement. bone mineral density was unchanged at two months f...
In this work an analytical equation of state has been employed to calculate the PVT properties ofternary refrigerant mixtures. The theoretical EoS is that of Ihm, Song and Mason, which is based onstatistical-mechanical perturbation theory, and the two constants are enthalpy of vaporization ΔHvapand molar density ρnb, both at the normal boiling temperature. The following three temperaturedepende...
The plants, grown in the soils around a Fuel Holding Depot of the Nigerian National Petroleum Corporation, Ibadan, Oyo state, Nigeria have been investigated in this research in terms of their density and species composition so that the impact of contamination by petroleum products on soil seed banks could be determined. The study has used designated plots (25m by 25m) in a site, contaminated by...
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