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Comparison of a combined quantum mechanics/interatomic potential function approach with its periodic quantum-mechanical limit: Proton siting and ammonia adsorption in zeolite chabazite

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Description scholarly article by Martin Paul Brändle et al published 15 December 1998 in Journal of Chemical Physics
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author: Martin Paul Brändle  Nicholas Harrison  Joachim Sauer 

Publication date December 15, 1998
Language English
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