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All papers authored by Mauro Boero

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2018 Evelyne Martin

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, Pier Luca Palla, Fabrizio Cleri

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, Sébastien Le Roux, Mauro Boero

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, Carlo Massobrio

On the occurrence of size effects in the calculation of thermal conductivity by first-principles molecular dynamics: The case of glassy GeTe4

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2017 Assil Bouzid

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, Hayat Zaoui, Pier Luca Palla, Guido Ori, Mauro Boero

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, Carlo Massobrio, Fabrizio Cleri

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, Evelyne Lampin

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Thermal conductivity of glassy GeTe₄by first-principles molecular dynamics

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Kenichi Koizumi, Katsuyuki Nobusada, Mauro Boero

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An atomic-level insight into the basic mechanism responsible for the enhancement of the catalytic oxidation of carbon monoxide on a Cu/CeO2 surface

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2016 Kenichi Koizumi, Katsuyuki Nobusada, Mauro Boero

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The absence of a gap state and enhancement of the Mars–van Krevelen reaction on oxygen defective Cu/CeO2 surfaces

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2015 Takashi Ikeda, Mauro Boero

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Role of van der Waals corrections in first principles simulations of alkali metal ions in aqueous solutions

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Assil Bouzid, Sebastien Le Roux, Sébastien Le Roux, Guido Ori, Mauro Boero

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, Carlo Massobrio

Origin of structural analogies and differences between the atomic structures of GeSe4 and GeS4 glasses: A first principles study

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Takeshi Baba, Mauro Boero

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, Katsumasa Kamiya, Hiroyuki Ando, Seiji Negoro

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, Masayoshi Nakano, Yasuteru Shigeta

Unraveling the degradation of artificial amide bonds in Nylon oligomer hydrolase: From induced-fit to acylation processes

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