نتایج جستجو برای: molecular complexes
تعداد نتایج: 752672 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...
A series of symmetric and asymmetric binuclear α-diimine nickel(II) complexes toward ethylene polymerization were successfully synthesized and characterized by 1HNMR. All the catalysts were typically activated with MAO and displayed good activity at room temperature under 1atm ethylene pressure. The symmetric catalyst containing isopropyl on l...
Several nonpeptide small molecules were designed as potential inhibitors of HIV protease and their structures were constructed by computer-aided molecular modeling and docked iwo the active site of HIV protease. Models of the complexes of inhibitors and the HIV protease were refined using nonbonded and H-bonding terms. The refined energy of selected complexes showed that the designed inhib...
aminocarboxylic acids, such as 2-aminobenzoic acid, react easily with [ir(cod)(pme3)3]cl, (cod=1,5-cyclooctadiene), in thf to produce hydridoaminocarboxylato iridium(iii) complexes in high yields. these octahedral complexes are formed via oxidative addition reaction of the o-h bond of the carboxylic group with the central metal. the starting iridium(i) complex losses the cod molecule, the chlor...
Four new [NiH2L](ClO4)2 (1), [CuH2L](ClO4)2 (2), [MnH2L](ClO4)2 (3) and [CdH2L](ClO4)2 (4), complexes were prepared by the reaction of a new Schiff base ligand and Cu(II), Ni(II), Mn (II) and Zn (II) metal ions in equemolar ratios. The ligand, H2L was synthesized by reaction of 1, 4- bis (2- formylphenyl) piperazine and ethanol amine and characterized with IR and 1H,13C NMR spectroscopy. All co...
The present work describes the studies on the coordination behaviour of 4[N-(benzalidene) amino]antipyrine semicarbazone (BAAPS) (I), 4[N-(furfural)amino]antipyrine semicarbazone (FFAAPS) (II) and 4[N-(cinnamalidene)amino]antipyrine semicarbazone (CAAPS) (III) in presence of dimethyl sulfoxide (DMSO) or diphenyl sulfoxide (DPSO) towards Th4+ and UO22+ salts. All the complexes were isolate...
Various factors affect the degree of mass crime of an environment, including social, economic, and physical factors. The purpose of this research is to investigate the role of the physical components of an environment on mass crime rate. In this regard, open spaces between residential complexes were selected as the case studies and based on five outdoor patterns including linear pattern, disper...
The charge transfer (CT) complex formation of benzonitrile as acceptor with the aromatic donors o-, m-, p-xylene and ethylbenzene in CCl4 solutions is investigated by chemical shift measurements relative to an external reference. The equilibrium parameters, Q and DAD of their weak molecular complexes, as found numerically mo...
نمودار تعداد نتایج جستجو در هر سال
با کلیک روی نمودار نتایج را به سال انتشار فیلتر کنید