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Listar por palabra clave "DFT CALCULATION"

RiuNet: Repositorio Institucional de la Universidad Politécnica de Valencia

Listar por palabra clave "DFT CALCULATION"

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    Ammonia IRMS-TPD measurements on Brønsted acidity of proton-formed SAPO-34 
    Suzuki, Katsuki; Nishio, Takuma; Katada, Naonobu; Sastre Navarro, German Ignacio; Niwa, Miki (Royal Society of Chemistry, 2011)
    [EN] By utilizing the advantages of a combined method of IRMS-TPD of ammonia and DFT calculations, the solid acidity of HSAPO-34 was studied. The number, strength and structure of the Bronsted OH were measured experimentally. ...