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Trimethylaluminum and borane complexes of primary amines.
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Magnesium and cadmium in covalently-bonded lonsdaleite networks : synthesis, ...
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Change of the cerium valence with temperature e structure and chemical bondin...
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Synthesis, crystal and electronic structures, and magnetic properties of LiLn...
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Electronic density distortion due to intercalation by Li
High resolution measurements of Compton profiles of LixNiO2 have been carried out using 60 keV photons at ESRF (Grenoble, France). Theoretical profiles are obtained... -
Incorporation of Ga into the structure of Ge-Se glasses
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Methodological developments in quantum chemistry: Quantum Monte Carlo methods...
This document summarizes my research activities since 2005 about the development of methods for computing the electronic structure of molecular systems and organized... -
Model for Mn in 6H-SiC from first-principle studies
The electronic and magnetic properties of 6H-SiC with Mn impurities have been calculated using generalized gradient approximation formalism. Various configurations of... -
Electronic, magnetic, and structural properties of the Fe/ZnSe interface.
The electronic, magnetic, and structural properties of Fe thin films epitaxially grown on ZnSe(001) have been investigated by spin polarized inverse photoemission,... -
New members of ternary rare-earth metal boride carbides containing finite bor...
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Electronic structure of bis-azepine transition-metal complexes: A DFT investi...
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The coordination of azepine to transition-metal complexes: A DFT analysis
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Structural arrangements of the ternary metal boride carbide compounds MB2C4 (...
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Mo15S20: First Evidence of a New Molybdenum Cluster Type in a Metastable Soli...
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Review on cerium intermetallic compounds: A bird's eye outlook through DFT
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Mathematical study of quantum and classical models for random materials in th...
The contributions of this thesis concern two topics. The first part is dedicated to the study of mean-field models for the electronic structure of materials with... -
Drastic changes of electronic structure, bonding properties and crystal symme...
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Oxo iron(IV) as an oxidative active intermediate of p-chlorophenol in the Fen...
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