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Publications by Fabien GRASSET
Simulation of Crystal and Electronic Structures of Octahedral Molybdenum Cluster Complex Compound Cs2[Mo6Cl14] Using Various DFT Functionals
Journal of the Ceramic Society of Japan
Materials Chemistry
Chemistry
Condensed Matter Physics
Composites
Ceramics
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CRYSTAL CHEMISTRY OF URANYL MOLYBDATES. XI. CRYSTAL STRUCTURES OF Cs2[(UO2)(MoO4)2] AND Cs2[(UO2)(MoO4)2](H2O)
Canadian Mineralogist
Petrology
Geochemistry
Electronic Spectra of Nitrosyl Chloride: A Reinvestigation Using Coupled Cluster and DFT Calculations
Revista Processos Químicos
Octahedral Molybdenum Cluster as a Photoactive Antimicrobial Additive to a Fluoroplastic
Materials Science and Engineering C
Mechanics of Materials
Materials Science
Condensed Matter Physics
Mechanical Engineering
Synthesis, Characterization, DFT and Td-dfT Study of the [Fe(mnt)(L)(t-BuNC) 2] Octahedral Complex (L = Phen, Bipy)
Quimica Nova
Chemistry
Peculiarities of the Electronic Structure of Cytochrome P450 Compound I: CASPT2 and DFT Modeling
Surface Atomic Structures, Surface Energies, and Equilibrium Crystal Shape of Molybdenum
Physical Review B
Elucidation of Crystal and Electronic Structures Within Highly Strained BiFeO3 by Transmission Electron Microscopy and First-Principles Simulation
Scientific Reports
Multidisciplinary
Ab Initio Study of Structure, Electronic and Magnetic Properties of YFe5 Phase Compound in the DFT Formalism
Archives of Metallurgy and Materials
An Approach to Distributed Interactive Simulation and Visualization of Complex Systems Using Cluster Computing
