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Theoretical study of some photophysical and photochemical properties of ruthe...
In this work, electronic structure calculations were performed on some polypyridyl ruthenium complexes to investigate their photophysical and photochemical properties.... -
POWER REDUCTION DURING SCAN TESTING
This thesis relates to power minimization during scan testing. The Scan technique is considered as the most often used DfT (Design for Test) technique. During test,... -
Evaluation of chemicals explosive properties: from classical experimental met...
International audience -
A theoretical study of the decomposition mechanisms in substituted o-Nitrotol...
International audience -
Excited state properties from ground state DFT descriptors : A QSPR approach ...
International audience -
Oxidation mechanism of aliphatic ethers : theoretical insights on the main re...
International audience -
Modeling of magnetic and optical properties of nanoparticles in medical interest
This thesis concerns the ab initio modeling of ligands and magnetic nanoparticles used in medicine (magnetic hyperthermia, medical imaging). Calculations are performed... -
Theoretical investigations of inorganic complexes and metallic clusters of na...
The work reported in this manuscript deals with the applications of quantum chemistry tools on several types and families of chemical compounds, i. e., clusters... -
Predicting explosibility properties of chemicals from quantitative structure-...
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Theoretical study of the peroxidation mechanism of diethyl ether (DEE)
This dataset has no description
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Predicting explosibility properties of chemical substances from a combined DF...
This dataset has no description
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Prediction of the physico-chemical properties of nitroaromatic compounds usin...
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QSPR prediction of impact sensitivity of nitro energetic compounds
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Prediction of impact sensivity of nitro energetic compounds using QSPR approa...
International audience -
A mechanistic and kinetic study of the DEE oxidation
This dataset has no description
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Etude théorique et expérimentale de l'auto-oxydation de l'éther éthylique
This dataset has no description
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A mechanistic and experimental study of the diethyl ether oxidation
International audience -
Synthesis and study of Salen-based photochromic diarylethene ligands : Unders...
This work is devoted to the design of novel photo-responsive systems. In this field of research, our team focuses on organic photochromic molecules called... -
Modélisation multiéchelle de la structuration des interfaces dans les nanothe...
Among the diversity of energetic materials existing nowadays, nanothermites are widely studied and used thanks to their principal characteristic, the capacity to...
