نتایج جستجو برای: boron wheel molecules
تعداد نتایج: 225222 فیلتر نتایج به سال:
Unique preferred localized valence structures for B2H6, B4H10, B5H,, and B6H10 have been found from accurate self-consistent field wavefunctions by maximizing Coulomb repulsions of electron pairs within orbitals. Objective evidence has thus been obtained for two-centre BH, three-centre bridge BHB, two-centre BB and central three-centre BBB bonds, but not, as yet, for open three-centre BBB bonds...
We have created insulated C60 nanowire by packing C60 molecules into the interior of insulating boron nitride nanotubes (BNNTs). For small-diameter BNNTs, the wire consists of a linear chain of C60 molecules.With increasing BNNT inner diameter, unusual C60 stacking configurations are obtained (including helical, hollow core, and incommensurate) that are unknown for bulk or thin-film forms of C6...
abstract part one: the electrode oxidation potentials of a series of eighteen n-hydroxy compounds in aqueous solution were calculated based on a proper thermodynamic cycle. the dft method at the level of b3lyp-6-31g(d,p) was used to calculate the gas-phase free energy differences ,and the polarizable continuum model (pcm) was applied to describe the solvent and its interaction with n-hydroxy ...
Introduction of ring flipping concept for chair conformers in cyclohexane, and the isolation its twist conformer on a cold Cesium plate, has so far revolutionized our understanding conformations medium-sized rings even small cyclic molecule, like fluxional cyclopentane. Chemists have since built models pondered conformational dynamics molecules. The wheel-model Lipnick, et al.
the adhesion molecules are involved in adhesion of leukocytes to endothelial cells and other immune cells. not only adhesion molecules have membrane form, but they also have soluble form. in this paper, we attempted to investigate the concen¬tration of soluble adhesion molecules in the type 1 diabetic patients (n = 40) and healthy subjects (n = 10). the results indicated that there was an incre...
A strong increase in the efficiency of isotope-selective infrared laser multiphoton dissociation 11 BCl 3 molecules natural mixture with 10 by radiation a pulsed CO 2 case admixture SF 6 molecules, which serve as sensitizer and simultaneously acceptors radicals, Cl atoms formed has been detected. The yield selectivity several times threshold energy density for decreases significantly their irra...
Alkylboron compounds are an important family of target molecules, serving as useful intermediates, as well as end points, in fields such as pharmaceutical science and organic chemistry. Facile transformation of carbon-boron bonds into a wide variety of carbon-X bonds (where X is, for example, carbon, nitrogen, oxygen, or a halogen), with stereochemical fidelity, renders the generation of enanti...
cotton (gossypium hirsutum l. cv. varamin ) an important industrial crop of iran, is grown in 300,000 ha, with an average seed -cotton yield of 1750 kg.ha-1. the main obstacle in the way of increasing average cotton yield is imbalanced fertilizer use. along with urea and triple super phosphate, cotton growers also need k, mg, zn, fe, mn, cu, and b, so these elements’ critical levels should ...
electrical sensitivity of a boron nitride nanotube (bnnt) was examined toward c2h5oh molecules by using density functional theory (dft) calculations . it was founding that the adsorption energy(ead) of ethanol on the pristine nanotubes is about -51.5 kj / mol, but when the nanotube has been doped with si and al atoms , the adsorption and recovery time changed and the sensitivity of nano...
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