نتایج جستجو برای: bond length and angles of tetrahedron structure
تعداد نتایج: 24099759 فیلتر نتایج به سال:
Al occupancy and local structure (bond lengths bond angles) for monoclinic β-(Al x Ga 1−x ) 2 O 3 alloys, with compositions (x) up to 90%, have been determined from Rietveld refinement of x-ray diffraction data. An atom preferentially occupies an octahedron (O h atomic site in comparison a tetrahedron (T d site. However, sizable number T sites, i.e., 20% composition 5%, remain occupied by atoms...
in this investigation the effect of external field on the electron density of nanostructures of cds, cdse, cdte, gaas and polymeric structure of three, four, five and six units of cds as a kind of nanosolar cells has been studied theoretically. as modeling this system in nanodimension, molecular structures has used. specific properties of molecular structures permit us to consider different sym...
In this paper,N-(2-Fluorophenyl)-2,6-dimethyl-1,3-dioxan-4-amine (C12H16FNO2) optimized geometries and frequencies of the stationary point and energies in the ground state using DFT (B3LYP) methods with 6-311Gbasis set. The calculated HOMO and LUMO energies also confirmed that the charge transfer occurred within the molecule. Bond length and bond angles values forC12H16FNO2 were calculated by u...
abstract the main purpose of this study was to investigate whether there was any significant difference between the speaking achievement of learners who were trained by means of consciousness raising of sociolinguistic skills and that of learners who were trained without the above mentioned task. the participants of this study consist of 60 intermediate level students participating languag...
By means of ab-initio calculations on the basis of the FPLAPW method, we compared the energy loss near edge structure (ELNES) of carbon K edges in crystalline phenanthrene and its isomer, anthracene. In these two organic compounds, different non-equivalent carbon atoms can result in distinct K edge spectra due to the different carbon-carbon bond lengths, as a characteristic behavior of the mole...
In this paper,N-(2-Fluorophenyl)-2,6-dimethyl-1,3-dioxan-4-amine (C12H16FNO2) optimized geometries and frequencies of the stationary point and energies in the ground state using DFT (B3LYP) methods with 6-311Gbasis set. The calculated HOMO and LUMO energies also confirmed that the charge transfer occurred within the molecule. Bond length and bond angles values forC12H16FNO2 were calculated by u...
chapter one is devoted to a moderate discussion on preliminaries, according to our requirements. chapter two which is based on our work in (24) is devoted introducting weighted semigroups (s, w), and studying some famous function spaces on them, especially the relations between go (s, w) and other function speces are invesigated. in fact this chapter is a complement to (32). one of the main fea...
abstract in first part of this project, the use of a new and biguanid-like catalyst supported on silica as a recyclable catalyst provides a new route for the synthesis of a variety of arylalkylidene rhodanine derivatives through knoevenagle reaction in at present of solvent at room temperature. rhodanine derivatives and especially arylalkylidene rhodanines have proven to be attractive compound...
Geometrical structure, nuclear magnetic resonance (N1,1It) chemical shielding tensors, and chemical shiftsof silicon and carbon nucler are investigated for twn infinite size zigzag and armchair single-walled siliconcarbide nanotabes (SiCNTs). Geometrical structures of SieNTs, Sit bonds and bond angles of St and Cvertices in both zigzag and armchair nanotubes, Indicate that bond lengths are appr...
fuzzy logic has been developed over the past three decades into a widely applied techinque in classification and control engineering. today fuzzy logic control is one of the most important applications of fuzzy set theory and specially fuzzy logic. there are two general approachs for using of fuzzy control, software and hardware. integrated circuits as a solution for hardware realization are us...
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