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Clarifying the effects of nanoscale porosity of silicon on the bandgap and alignment: a combined molecular dynamics–density functional tight binding computational study
Sundarapura, Panus, Manzhos, Sergei, Ihara, Manabu
Published in Physical Chemistry Chemical Physics (24.05.2023)
Published in Physical Chemistry Chemical Physics (24.05.2023)
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Accessing Structural, Electronic, Transport and Mesoscale Properties of Li-GICs via a Complete DFTB Model with Machine-Learned Repulsion Potential
Anniés, Simon, Panosetti, Chiara, Voronenko, Maria, Mauth, Dario, Rahe, Christiane, Scheurer, Christoph
Published in Materials (03.11.2021)
Published in Materials (03.11.2021)
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UV irradiation and infrared observation of sulfur dioxide clusters and solids at cryogenic temperature
Ito, Fumiyuki, Koga, Ryoichi, Negishi, Shohei, Hirahara, Yasuhiro
Published in Chemical physics letters (16.10.2023)
Published in Chemical physics letters (16.10.2023)
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Optical properties of coiled carbon nanotubes: A simple model
MILOSEVIC, Ivanka, POPOVIC, Zoran, DMITROVIC, Saša, DAMNJANOVIC, Milan
Published in Physica Status Solidi (b) (01.11.2011)
Published in Physica Status Solidi (b) (01.11.2011)
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Energetics of fullerenes with heptagonal rings
Fowler, P. W., Heine, T., Mitchell, D., Orlandi, G., Schmidt, R., Seifert, G., Zerbetto, F.
Published in Journal of the Chemical Society. Faraday transactions (21.06.1996)
Published in Journal of the Chemical Society. Faraday transactions (21.06.1996)
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