نتایج جستجو برای: no coordination
تعداد نتایج: 3359286 فیلتر نتایج به سال:
A group of fifty epileptic patients were tested with neuropsychological tools for cognitive functions like memory, intelligence, visuomotor coordination, spatial perception and body schema perception. Patients were on carbamazepine and were tested after three months. Seizure improvement was shown to have different effects on different cognitive functions. Memory and intellectual deficits improv...
Structural characterization of a nickel aryldiazo complex supported by the bulky 1,2-bis(di-tert-butylphosphino)ethane ligand reveals square-planar Ni geometry and an unusual side-on coordination mode for the N2R moiety, while the related nitrosyl complex displays trigonal-planar geometry at Ni and end-on coordination of the NO ligand.
The reaction of an imidazolium salt with LiBEt(3)H afforded triethylborane adduct of imidazol-2-ylidene, which can act as a carbene precursor for the synthesis of a transition metal complex as well as a main group element complex.
The homogeneous catalysis of water oxidation by transition-metal complexes has experienced spectacular development over the last five years. Practical energy-conversion schemes, however, require robust catalysts with large turnover frequencies. Herein we introduce a new oxidatively rugged and powerful dinuclear water-oxidation catalyst that is generated by self-assembly from a mononuclear catal...
Gel-permeation chromatography (GPC) has been used to analyze transition-metal-based squares, triangles, and related supramolecular complexes. Using rhenium-containing molecular squares of different sizes, a linear calibration curve has been established, which was used for confirming the relative sizes of other assemblies. GPC can also discriminate cyclic trimers and tetramers of a dirhodium bui...
X-ray photoelectron spectra provide a wealth of information on the electronic structure. The extraction of molecular details requires adequate theoretical methods, which in case of transition metal complexes has to account for effects due to the multi-configurational and spin-mixed nature of the many-electron wave function. Here, the restricted active space self-consistent field method includin...
This paper discusses the associative matching mechanism used in the Linda coordination language for the retrieval of data. There are a number of problems with this mechanism which are discussed in the light of the requirements of applications using Linda. A number of solutions to these problems have been proposed. These are discussed and compared with a new approach to solving these problems. T...
We introduce the atomic valence active space (AVAS), a simple and well-defined automated technique for constructing active orbital spaces for use in multiconfiguration and multireference (MR) electronic structure calculations. Concretely, the technique constructs active molecular orbitals capable of describing all relevant electronic configurations emerging from a targeted set of atomic valence...
We investigate transport through a mononuclear transition-metal complex with strong tunnel coupling to two electrodes. The ground state of this molecule is a singlet, while the first excited state is a triplet. We show that a modulation of the tunnel-barrier due to a molecular distortion which couples to the tunneling induces a Kondo-effect, provided the discrete vibrational energy compensates ...
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