نتایج جستجو برای: hydrogen
تعداد نتایج: 145544 فیلتر نتایج به سال:
abstract the influence of cation?? and anion?? interactions on the strength and nature of n…h hydrogen bond has been investigated by quantum chemical calculations in s-triazine…3hf complex. ab initio calculations were performed at mp2/6-311++g(d,p) level of theory. the natural bond orbital (nbo) analysis and the bader’s quantum theory of atoms in molecules (aim) were also used to elucidate t...
on this project we try to calculated power of hydrogen on dycarbonil compound in different ways ; the first way is shoster way , for sain power of hydrogen notice the different power between central conforms on it and main conform that’s didn’t have hydrogen joint . or in other way different of energy between open and close form. second way, is average way? this is for way that studied conf...
there is no doubt that human being needs to become integrated with industry and industry needs to be progressed, daily. on the other hand, serious events in industrial units specially in oil industries has been shown that such damages and events are industry related ones. the consequence of such events and damages which resulted in chemical and poisoned explosions and loss of life and property ...
alkali and alkaline earth metals hydrogen sulfate catalyzed the one-pot three component condensation reactions of aldehydes, 1,3-dicarbonyl compounds and urea or thiourea under solvent-free conditions leading to 3,4-dihydropyrimidin-2(1h)-ones in high yields at 80 °c. our results showed that biginelli reaction not only is ph dependent, but the cation of catalyst plays an important role.
recent developments in hydrogen production by thermochemical water decomposition are reported,with an emphasis on hydrogen production from non-fossil energy sources such as nuclear and solar. numerousdevelopments have been made on sulphur-iodine, copper-chlorine and other thermochemicalcycles. efforts are described to lower the temperatures required in thermochemical cycles, so as to broadenthe...
to explore the possibility of using graphene based biosensor, adsorption of hydrogen peroxide on graphene has been investigated using density functional theory. the electronic properties of defect free and defective graphene in the presence of different number of hydrogen peroxide have been studied. the graphene with the most stable configuration defect named as sw defect is considered. the hig...
hydrogen technology is becoming ever more relevant because hydrogen use can help containinggreenhouse gas emission if co2 capture and storage techniques are implemented in the hydrogen productiontechnology (when hydrogen is produced from fossil fuels). for this reason this work aims at carryingout a comparative analysis of possible energy scenarios in urban districts: a medium-small italian cit...
the present paper aims to investigate the role of open metal site metal-organic frameworks (mofs) on hydrogen adsorptivity using periodic boundary condition (pbc) density functional theory (dft). hence, mil-47-m (m = v and fe) were selected and one hydrogen molecule adsorptivity was calculated in different orientations on them. four different chemical sites were identified in every cluster sect...
The present paper aims to investigate the role of open metal site metal-organic frameworks (MOFs) on hydrogen adsorptivity using periodic boundary condition (PBC) density functional theory (DFT). Hence, MIL-47-M (M = V and Fe) were selected and one hydrogen molecule adsorptivity was calculated in different orientations on them. Four different chemical sites were identified in every cluster sect...
in order to detect hydrogen cyanide gene and to determine pseudomonas fluorescent efficiency in producing hydrogen cyanide for controlling the growth of rhizoctonia solanipathogen (the causal agent of sugar beet root and crown rot), samples were collected from sugar beet rhizosphere in sabzevar fields. after soil sampling and purification, 31 pseudomonas spp. isolates were separated on specific...
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