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Inorganic Chemistry

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Materials Chemistry

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Materials Science

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Physical Chemistry

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Theoretical and Computational Chemistry

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AIMD Simulations

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3 results in Keywords: AIMD Simulations

Materials Chemistry

Elucidating the germanium distribution in ITQ-13 zeolites by density functional theory

Michael Fischer, Carlos Bornes, Luís Mafra, João Rocha

Version 2 posted 18 January 2022

249

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Inorganic Chemistry

Local Distortions in a Prototypical Zeolite Framework Containing Double Four-Ring Cages: The Role of Framework Composition and Organic Guests

Michael Fischer, Linus Freymann

Version 2 posted 12 November 2020

611

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Inorganic Chemistry

Fluoride Anions in All-Silica Zeolites: Studying Preferred Fluoride Sites and Dynamic Disorder with Density Functional Theory Calculations

Michael Fischer

Version 2 posted 26 March 2021

583

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