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The top documents tagged [abinitio calculation]
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abinitio calculation
Un apport de la simulation numérique à l’astrochimie des PAHs P. Parneix and C. Falvo ISMO, Université Paris Sud, Orsay, France.
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Magnetic Tunnel Junctions. Transfer Hamiltonian Tunneling Magnetoresistance.
230 views
Molecular Modeling of Crystal Structures
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Tight-Binding Modeling of Intermediate Valence Compound SmSe for Piezoelectronic Devices
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Generation of Empirical Tight Binding Parameters from ab -initio simulations
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