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There are only few structural thermodynamic and kinetic studies on labile octahedral complexes available today. Octahedral paramagnetic compounds of cobalt(II) have an optimum electronic relaxation leading to NMR spectra with good resolution. Therefore, th ...
The water‐exchange mechanism of [UO2(OH2)5]2+ has been reinvestigated by using ab initio molecular orbital (MO) methods. The geometries and the vibrational frequencies were computed with CAS‐SCF(12/11)‐SCRF and CAS‐SCF(12/11)‐PCM methods, which take into a ...
Impaired self- and own body processing in patients with schizophrenia and individuals along the schizophrenia spectrum have been associated with dysfunctional cortical activation at the temporo-parietal junction. Here we investigated whether strength or du ...
Patients with hemispatial neglect restricted to near (within reaching distance) or to far space (beyond reaching distance) have been described. This constitutes a double-dissociation considered by current neurocognitive thinking as compelling evidence for ...
A method of separating isotopes from polyatomic molecules, in particular C from trifluoromethane HCF3, by applying to the polyatomic molecules in the gas phase infrared laser beams of different frequencies to produce multiphoton dissociation and reacti ...
We model the fundamental kinetic processes occurring during silicon oxidation at the atomic scale. We first focus on the diffusion of the, neutral O-2 molecule through the oxide layer. By combining ab initio and classical simulations, we derive a statistic ...
The C2-sym. electron-poor ligand (R)-BINOP-F (4; (R)-2,2'-[bis(pentafluorophenyl)phosphinoxy]-1,1'-binaphthalene) was prepd. by reaction of (R)-BINOL ((R)-1,1'-binaphthalene-2,2'-diol) with bromobis(pentafluorophenyl)phosphine in the presence of NEt3. The ...
PURPOSE: The syndrome of unawareness (anosognosia) for sensory and motor neurological deficits (hemiplegia, hemianaesthesia, and hemianopia), contralateral to the side of a hemispheric lesion, is reviewed. CONTENT: Main topics include: basic historical fac ...
PDZ domains are typical examples of binding motifs mediating the formation of protein-protein assemblies in many different cells. A quantitative characterization of the mechanisms intertwining structure, chemistry, and dynamics with the PDZ function repres ...
