نتایج جستجو برای: interaction of cntwith methanol
تعداد نتایج: 21202730 فیلتر نتایج به سال:
In this paper, we report the geometries and properties of 48 molecular species located on the MP2/6-311++G(d,p) PES of the fluorocarbene-(methanol)3 system. The structures were found by a combination of a stochastic search method, using a modified Metropolis acceptance test, and some hand constructed very symmetrical structures. We use several theoretical descriptors to categorize these species...
A new salt-[Ni(II)(DMSO)(5)(TTFPy)](2)[α-SiW(12)O(40)] (1)-based on polyoxometalates was prepared by coordinating a cationic electron donor of pyridyltetrathiafulvalene (TTFPy) with Ni(II). Although the TTFPy molecule did not form a salt with the anionic α-[SiW(VI)(12)O(40)](4-) because of the weak charge-transfer (CT) interaction, the coordination of Ni with the pyridyl moiety permitted salt f...
objective(s) the aim of this study was to evaluate antioxidant and hair growth activities of buxus wallichiana baill (buxaceae). materials and methods petroleum ether, chloroform, methanol and aqueous extracts of buxus wallichiana subjected to antioxidant activity by; 2, 2-diphenyl-1-picryl hydrazyl and nitric oxide methods. methanol extract of buxus wallichiana at 50, 100 mg/kg, ointment of me...
Abstract Chelidonic acid (4-oxo-4H-pyran-2,6-dicarboxylic acid) is present in plants of Papaveraceae family, especially Chelidonium majus . Due to its anticancer, antibacterial, hepatoprotective, and antioxidant properties, it has been used medical treatments. In this work, the X-ray structure methanol solvate chelidonic was determined. Layers are held by hydrogen bonds via COOH C = O fragments...
It is not sufficiently appreciated that methly alcohol is very toxic. For econoi' reasons, methyl (wood) alcohol is employed as a substitute for tbyl (grain) alcohol, in what may be termed comparatively innocent products, such as perfumes, hair tonics, skin lotions, , '/ polishes, varnishes, etc. Government analysts, not infrequently, find it employed in the manufacture of various extracts for ...
Ab initio calculations at the B3LYP/aug-cc-pVDZ, B3PW91/aug-ccpVDZ, MP2/aug-cc-pVDZ, B3LYP/6-311 G(2d,2p), B3PW91/6-311 G(2d,2p), and MP2/6-311 G(2d,2p) levels are performed for the IR spectra of isolated water and methanol molecules and hydrogen-bonded water–methanol, methanol–water, and methanol–methanol complexes. Frequency shifts and changes in intensities are obtained for the proton donor ...
The acoustical parameters of some synthesized azomethines have been studied from ultrasonic velocity and density measurement at different concentration in methanol and dimethyl formamide at 303.15 K. The apparent adiabatic molar compressibilities and apparent molar volume were also evaluated. The results provide useful information about solute-solute and solute-solvent interactions and are of s...
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