1,720,961 research outputs found
Possible role of vanadium in biological oxidations. The oxidation of uracil by hydrogen peroxide in acidic aqueous solution
No full textThe chemistry of peroxovanadium species in aqueous solutions, Structure and reactivity of a neutral diperoxovanadium complex as provided by V-51-NMR data, ab initio calculations and kinetic results
No full textPeroxovanadium complexes as radical oxidants in organic solvents and in aqueous solutions
No full textSynthesis of brominated compounds. A convenient molybdenum-catalyzed procedure inspired by the mode of action of haloperoxidases.
No full textStudies directed toward the prediction of the oxidative reactivity of vanadium peroxo complexes in water, Correlations between the nature of the ligands and V-51-NMR chemical shifts
No full textThe versatile chemistry of peroxo complexes of vanadium, molybdenum and tungsten as oxidants of organic compounds
No full textAb initio calculations on water-peroxovanadium clusters, VO(O-2)(H2O)(n)(+) (n=1-5). Implications for the structure in aqueous solution
No full textThe lack of information on the structure of peroxovanadium complexes in aqueous solution, together with the difficulty to obtain clearcut experimental evidence, prompted us to approach the problem by carrying out ab initio calculations (HF/3-21G(*) and BSLYP/LANL2DZ). To the naked oxoperoxocation [VO(O-2)](+), whose preferred structure has been determined to be the ''cisoid'' one, water molecules have been subsequently added and the resulting geometries optimized. The maximum stabilization due to complexation of the aqua ligands is obtained when three molecules of water are coordinated to vanadium. Further coordination to the metal is characterized by a lower hydration energy, similar to that pertaining to the formation of the second solvation shell. Accordingly, the preferred coordination number is six [VO(O-2)(H2O)(3)(+)] with a distorted octahedral geometry and a readily exchangeable fourth water molecule. These results should be compared with those obtained by diffractometric analysis for several monoperoxovanadium complexes in the solid state which exhibit a pentagonal bipyramid geometry and hence a coordination number of seven
A mechanistic investigation of bromoperoxidases mimicking systems. Evidence of a hypobromite-like vanadium intermediate from experimental data and ab initio calculations
No full text
Going Beyond Counting First Authors in Author Co-citation Analysis
Full text linkThe present study examines one of the fundamental aspects of author co-citation analysis (ACA) - the way co-citation
counts are defined. Co-citation counting provides the data on which all subsequent statistical analyses and mappings
are based, and we compare ACA results based on two different types of co-citation counting - the traditional type that
only counts the first one among a cited work's authors on the one hand and a non-traditional type that takes into
account the first 5 authors of a cited work on the other hand. Results indicate that the picture produced through this non-traditional author co-citation counting contains more coherent author groups and is therefore considerably clearer. However, this picture represents fewer specialties in the research field being studied than that produced through the traditional first-author co-citation counting when the same number of top-ranked authors is selected and analyzed. Reasons for these effects are discussed
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