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Ab initio study of the influence of structural parameters on the potential en...
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Analysis of the physical contributions to magnetic couplings in broken symmet...
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Atmospheric pressure plasma polymerization : a straightforward tool in the de...
For various industrial applications, there is an urgent need to obtain cost effective coatings having the desired functional groups. Among such methods, dielectric... -
Silver and rhodium-catalyzed cycloisomerization reactions leading to furoquin...
Among a variety of new synthetic transformations, transition-metal-catalyzed reactions are some of the most attractive methodologies for synthesizing heterocyclic... -
ELABORATION DE TiO2 SOUS FORME DE COUCHE MINCE DOPÉE ET NANOTUBULAIRE : CARAC...
In the present work, titanium dioxide thin layers were prepared using anodic oxidation. Different structures were obtained and were modified by cerium... -
Modelling electric field control of the spin state in the mixed-valence polyo...
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Improved version of a local contracted configuration interaction of singles a...
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Rationalisation of the impregnation step of catalysts on the basis of molybde...
Impregnation, crucial step of the preparation of supported catalysts used for hydrotreatment of petroleum fractions (CoMo / gamma-alumina), has been studied in this... -
Analysis of the magnetic coupling in binuclear systems. III. The role of the ...
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Oxidative decarboxylation of diclofenac by manganese oxide bed filter
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Activity and stability of sulfur catalytic phases for hydrotreating of vegeta...
By combining well defined experiments and density functional theory (DFT) calculations, we propose a rational understanding of the deoxygenation mechanisms of relevant... -
Synthesis and characterization of nanoclusters stabilized by thiolates
My research works concerns the synthesis and characterization of nanoclusters stabilized by thiolates(SG), particularly the gold and silver nanoclusters. The study of... -
Communication: A dramatic transition from nonferromagnet to ferromagnet in fi...
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Study of the atmospheric photoinduced reactions at the solid/air interface : ...
The atmosphere contains a wide variety of solid and liquid particles, named Aerosol. These particles can affect the radiatif balance, air quality in urban environment... -
Consideration of spatial differentiation in the assessment of local environme...
Municipal solid waste management focuses operational, strategic and environmental issues. We observed recently a development of measures to assess environmental... -
Transport phenomenon : contribution of ab initio calculations and applications
In a first part, we studied the magnetic properties of organic radicals (coupled with rare earth or between each other). We calculated the magnetic exchange and the... -
Ab initio study of tungsten trioxide WO3 in volume and surface area
The structure and stability of different crystallographic phases of tungstentrioxide and the effect of potassium doping have been studied using ab initiocalcuations,... -
A regionally contracted multireference configuration interaction method: gene...
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Implementation of renormalized excitonic method at ab initio level.
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A bottom-up valence bond derivation of excitation energies in 1D-like delocal...
International audience
