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Chapitre D'ouvrage Année : 2009

Characterization of structure and reactivity of transition metal ions in zeolites using static and molecular dynamics DFT calculations

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hal-00489628 , version 1 (06-06-2010)

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Dorothée Berthomieu, Sailaja Krishnamurty. Characterization of structure and reactivity of transition metal ions in zeolites using static and molecular dynamics DFT calculations. M V. A. Basiuk and P. Ugliengo. Quantum Chemical Calculations of Surfaces and Interfaces of Materials, Nanotechnology Book Series, ASP, pp.107-132, 2009, Nanotechnology Book Series. ⟨hal-00489628⟩
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