نتایج جستجو برای: no coordination

تعداد نتایج: 3359286  

1993
M.R. Nainian P.B. Behere S. Mohanti

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...

Journal: :Chemical communications 2005
Vlad M Iluc Alexander J M Miller Gregory L Hillhouse

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.

Journal: :Chemical communications 2004
Yoshitaka Yamaguchi Taigo Kashiwabara Kenichi Ogata Yumiko Miura Yoshiyuki Nakamura Kimiko Kobayashi Takashi Ito

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.

Journal: :Angewandte Chemie 2014
Isidoro López Mehmed Z Ertem Somnath Maji Jordi Benet-Buchholz Anke Keidel Uwe Kuhlmann Peter Hildebrandt Christopher J Cramer Victor S Batista Antoni Llobet

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...

Journal: :Inorganic chemistry 2004
Christopher R Graves Melissa L Merlau Gregory A Morris Shih-Sheng Sun SonBinh T Nguyen Joseph T Hupp

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...

Journal: :The Journal of chemical physics 2015
Gilbert Grell Sergey I Bokarev Bernd Winter Robert Seidel Emad F Aziz Saadullah G Aziz Oliver Kühn

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...

2002
George Wells Alan Chalmers Peter Clayton

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...

Journal: :Journal of chemical theory and computation 2017
Elvira R Sayfutyarova Qiming Sun Garnet Kin-Lic Chan Gerald Knizia

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...

Journal: :Physical review letters 2006
K Kikoin M N Kiselev M R Wegewijs

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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