نتایج جستجو برای: epr ii basis set
تعداد نتایج: 1544489 فیلتر نتایج به سال:
Electron paramagnetic resonance spectroscopy and density functional theory methods were used to study the structure of a single, high-affinity Mn(II) binding site in the hammerhead ribozyme. This binding site exhibits a dissociation constant Ke of 4.4 microM in buffer solutions containing 1 M NaCl, as shown by titrations monitored by continuous wave (cw) EPR. A combination of electron spin echo...
. ترکیبات سنتزشده با استفاده از تکنیـک های طیف سنجـیir ، 13c nmr، 1h،31p ، 119snو بلورنگاری با پرتو x مورد شناسایی قرار گرفتند. محاسبات nbo با روش dft(b3lyp) با استفاده از 6-31+g* basis set انجام شد. در نهایت اثر ضدمیکروبی برخی از ترکیبات سنتز شده علیه 2 نوع باکتری گرم مثبت استافیلوکوکوس اورئوس و باسیلوس سابتیلوس و 2 نوع باکتری گرم منفی اشریشیاکولی (ا.کولی) و هلیکوباکترپیلوری با استفاده از روش ...
Probabilities and correlations in EPR experiments. The EPR-Bohm-Aharonov [1] system of two correlated spin-half particles or qubits observed by spatially separated observers has often been used as an arena in which to probe fundamental questions about quantum theory. Typically there are four different configurations corresponding to four different experiments and one obtains no-go theorems on (...
Paramagnetic complexes of iron (III), manganese (II), and cobalt (II) protoporphyrins IX and apohemoproteins react with nitric oxide to form spectroscopically distinct compounds. Optical and electron paramagnetic resonance (EPR) studies suggest that a l-electron transfer between nitric oxides and metal ions which occurs in these reactions results in the formation of spin-paired complexes of the...
Paramagnetic complexes of iron (III), manganese (II), and cobalt (II) protoporphyrins IX and apohemoproteins react with nitric oxide to form spectroscopically distinct compounds. Optical and electron paramagnetic resonance (EPR) studies suggest that a l-electron transfer between nitric oxides and metal ions which occurs in these reactions results in the formation of spin-paired complexes of the...
Paramagnetic complexes of iron (III), manganese (II), and cobalt (II) protoporphyrins IX and apohemoproteins react with nitric oxide to form spectroscopically distinct compounds. Optical and electron paramagnetic resonance (EPR) studies suggest that a l-electron transfer between nitric oxides and metal ions which occurs in these reactions results in the formation of spin-paired complexes of the...
The Py(2)N(4)S(2) octadentate coordinating ligand afforded dinuclear cobalt, copper and zinc complexes and the corresponding mixed metal compounds. The overall geometry and bonding modes have been deduced on the basis of elemental analysis data, MALDI-TOF-MS, IR, UV-vis and EPR spectroscopies, single-crystal X-Ray diffraction, conductivity and magnetic susceptibility measurements. In the copper...
Oxalate decarboxylase from Bacillus subtilis is composed of two cupin domains, each of which contains a Mn(II) ion coordinated by four identical conserved residues. The similarity between the two Mn(II) sites has precluded previous attempts to distinguish them spectroscopically and complicated efforts to understand the catalytic mechanism. A multifrequency cw-EPR approach has now enabled us to ...
Crystal structures and magnetic properties of a set of dihalo-bridged oxalamidato copper(II) dimers.
A set of four copper(ii) complexes, and (X = Cl, Br; = N-(l-leucine methyl ester)-N'-((2-pyridin-2-yl)methyl)oxalamide and = N-benzyl-N'-((2-pyridin-2-yl)methyl)oxalamide), have been synthesized and characterized by X-ray structural analysis, electron paramagnetic resonance (EPR) spectroscopy on single crystals and by SQUID magnetization measurements. X-ray diffraction studies show one-dimensio...
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