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Inorganic Chemistry

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Materials Science

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Physical Chemistry

(2)

Theoretical and Computational Chemistry

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Over 3 years

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Keywords

AIMD calculations

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4 results in Keywords: AIMD calculations

Inorganic Chemistry

Influence of Organic Structure-Directing Agents on Fluoride Dynamics in As-Synthesized Silicalite-1

Michael Fischer

Version 2 posted 29 January 2020

645

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Inorganic Chemistry

Proton Acidity and Proton Mobility in ECR-40, a Silicoaluminophosphate That Violates Löwenstein’s Rule

Michael Fischer

Version 1 posted 14 June 2019

529

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Physical Chemistry

Bimolecular Reaction Dynamics in the Phenyl - Silane System: Exploring the Prototype of a Radical Substitution Mechanism

Michael Lucas, Aaron M. Thomas, Tao Yang, Ralf I. Kaiser, Alexander M. Mebel, Diptarka Hait, Martin Head-Gordon

Version 1 posted 02 August 2018

878

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Inorganic Chemistry

Discovery of a Two-Dimensional Type I Superionic Conductor

Alex Rettie, Jingxuan Ding, Michael Johnson, Christos Malliakas, Naresh Osti, Duck Young Chung, Raymond Osborn, Olivier Delaire, Stephan Rosenkranz, Mercouri Kanatzidis

Version 2 posted 24 August 2020

886

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