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Copper atoms and copper clusters in solid xenon. Special atom and dimer sites and covalently bound clusters with three to five atoms
Spectre d'absorption et de fluorescence des atomes de Cu et de leurs agregats en matrice de xenon (Cu n ) ou n=1 a 5) dans des sites varies. Etude des processus de relaxation radiative et nonExpand
Role of the solvent in computing the 1,4-benzosemiquinone g-tensor by the coupled-perturbed Kohn-Sham hybrid density functional method
The 1,4-benzosemiquinone (BzSQ) g-tensor components, in the gas phase and in methanol, are computed. Neese's coupled-perturbed Kohn−Sham method is used, in conjunction with the UB1LYP and UPBE0Expand
A further insight into the mechanism of biosorption of metals, by examining chitin epr spectra.
Experimental chitin-uranium-copper EPR spectra have been simulated by computer. The simulation suggests that the chitin-copper-uranium EPR spectra are primarily due to a chitin-copper interaction,Expand
Accurate calculation of the phenyl radical's magnetic inequivalency, relative orientations of its spin hamiltonian tensors, and its electronic spectrum.
  • S. Mattar
  • Chemistry, Medicine
  • The journal of physical chemistry. A
  • 18 January 2007
The phenyl radical's electronic structure, magnetic inequivalency, spin Hamiltonian tensor components, and the relative orientation of their principal axes are computed by Neese's coupled-perturbedExpand
Spectroscopic Studies of the Intermediates in the Conversion of 1,4,11,12-Tetrahydro-9,10-anthraquinone to 9,10-Anthraquinone by Reaction with Oxygen under Basic Conditions
The intermediates of the 1,4,11,12-tetrahydro-9,10-anthraquinone (THAQ) to 9,10-anthraquinone (AQ) reaction are studied by various spectroscopic and computational methods. X-ray diffraction,Expand
A tuneable doubly stacked dielectric resonator housed in an intact TE102 cavity for electron paramagnetic resonance spectroscopy
Abstract An EPR resonator is constructed by inserting a pair of dielectric ceramic rings in an unmodified rectangular TE102 cavity. It is tuneable over the range of 8.0–10.0 GHz. Therefore, existingExpand
Low nuclearity silver clusters in faujasite-type zeolites: optical spectroscopy photochemistry, and relationship to the photodimerization of alkanes
Phototransformation intrazeolite de Ag n q+ induite par rayons UV (220-300 nm), thermiquement reversible dans Ar mais irreversible dans CH 4 . Generation de centres V et reduction des agregats Ag nExpand
Generation and spectroscopic characterization of the 2,3,5,6-tetramethoxy-1,4-benzosemiquinone reactive intermediate
Abstract The 2,3,5,6-tetramethoxy-1,4-benzosemiquinone transient radical is generated from 2,3,5,6-tetrafluoro-1,4-benzoquinone and is detected by EPR spectroscopy. The average isotropic hyperfineExpand