نتایج جستجو برای: bond length and angles of tetrahedron structure
تعداد نتایج: 24099759 فیلتر نتایج به سال:
Background: The purpose of using nano-carriers for drugs delivery, such as nanotubes, is slow release of drug and reducing side effects of drugs. Drugs are very active due to their many functional groups. Therefore, reactivity of drug is reduced by being in nanotube field due to electronic resonance of drug with nanotube and it stays longer in body. As a result, less amount of drug is used and ...
in the present work, the quantum theoretical calculations of the molecular structure of the 1-(1, 3-benzothiazol-2-yl)-3-(thiophene-5-carbonyl) thiourea has been predicted and are evaluated using density functional theory (dft) in gas phase. the geometry of the title compound was optimized by b3lyp/6-311+g and b3lyp/6-311+g* methods and the experimental geometrical parameters of the title compo...
The title compound, C(28)H(30)N(2)P(2), adopts a well documented and studied gauche conformation around the hydrazine bond. Bond lengths and angles are in the typical ranges expected for P-N and P-C bonds. A normal hydrazine N-N bond length of 1.426 (3) Å is observed.
With the aim of recognizing the steric effects on the silylenic R2C6H6Si structures, DFT calculationsare carried out on 8 structures of R2C6H6Si (where R is hydrogen (H), methyl (Me), isopropyl (i-pro),and tert-butyl (tert-Bu)). These species are at either triplet (t) or singlet (s) states. Singlet–tripletenergy separations ( Me (20.32) > t-Bu (15.92).all singlet states of R2C6H6Si, are more st...
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...
the present study has tried to accomplish an analysis of margaret atwood’s novels oryx and crake, and the year of the flood in the light of posthuman and cyborg theories. considering posthumanism as a critical reading of some notions of humanism focus of which in this thesis has been identity, new definitions for humanity and human identity are formed. haraway’s cyborg, as one possible new figu...
nowadays,tourism industry considered as one of the main sources of income of a country.unfortunately and despite of owning plenty of cultural historical and natural attractions, iran has not reached to a proper position in this field. besides, the historical cities of a country are considered as the income resource and national wealth of it. qazvin with a rich cultural precedent, have suitable ...
The molecular structure of the stable conformation of phosphonic acid in gas phase has beencomputed by employing complete geometry optimization in Density Functional Theory(DFT) methods. The methods used for calculations are B3LYP, BP86 and B3PW91 that havebeen studied in two series of basis sets: D95** and 6-31+G(d,p) for hydrogen and oxygenatoms; LANL2DZ for phosphorus. Bond lengths and angle...
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