Properties of the water to boron nitride interaction: From zero to two dimensions with benchmark accuracy

Yasmine S. Al-Hamdani; Mariana Rossi; Dario Alfè; Theodoros Tsatsoulis; Benjamin Ramberger; Jan Gerit Brandenburg; Andrea Zen; Georg Kresse; Andreas Grüneis; Alexandre Tkatchenko; Angelos Michaelides

doi:10.1063/1.4985878

Properties of the water to boron nitride interaction: From zero to two dimensions with benchmark accuracy

Yasmine S. Al-Hamdani
, Mariana Rossi
, Dario Alfè
, Theodoros Tsatsoulis
, Benjamin Ramberger
, Jan Gerit Brandenburg
, Andrea Zen
, Georg Kresse
, Andreas Grüneis
, Alexandre Tkatchenko
, Angelos Michaelides

Computergestützte Materialphysik

Veröffentlichungen: Beitrag in Fachzeitschrift › Artikel › Peer Reviewed

Originalsprache	Englisch
Aufsatznummer	044710
Seitenumfang	13
Fachzeitschrift	Journal of Chemical Physics
Jahrgang	147
Ausgabenummer	4
DOIs	https://doi.org/10.1063/1.4985878
Publikationsstatus	Veröffentlicht - 28 Juli 2017

ÖFOS 2012

103025 Quantenmechanik
103036 Theoretische Physik
103015 Kondensierte Materie
103009 Festkörperphysik

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10.1063/1.4985878

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Verknüpfung zur Publikation in Scopus

ViCoM II: Vienna Computational Materials Laboratory
Süss, D. (Co-Projektleiter*in), Kresse, G. (Projektleiter*in), Held, K. (Co-Projektleiter*in), Verstraete, F. (Co-Projektleiter*in), Burgdorfer, J. (Projektleiter*in), Mauser, N. (Co-Projektleiter*in), Blaha, P. (Co-Projektleiter*in), Mohn, P. (Co-Projektleiter*in), Podloucky, R. (Co-Projektleiter*in), Dellago, C. (Co-Projektleiter*in) & Resch, A. (Projektadministrator*in)
1/06/10 → 30/06/19
Projekt: Forschungsförderung

Zitationsweisen

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AU - Alfè, Dario

AU - Tsatsoulis, Theodoros

AU - Ramberger, Benjamin

AU - Brandenburg, Jan Gerit

AU - Zen, Andrea

AU - Kresse, Georg

AU - Grüneis, Andreas

AU - Tkatchenko, Alexandre

AU - Michaelides, Angelos

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KW - SIMULATIONS

KW - ADSORPTION

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Properties of the water to boron nitride interaction: From zero to two dimensions with benchmark accuracy

ÖFOS 2012

Zugriff auf Dokument

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Projekte

ViCoM II: Vienna Computational Materials Laboratory

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