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Journal of Physics. Condensed Matter : an Institute of Physics Journal|March 14, 2020
Intrinsic defects of GaSePeter Deák, Miaomiao Han, Michael Lorke, et al.Nanoscale|April 18, 2019
Plasmon-induced hot-carrier generation differences in gold and silver nanoclustersOscar A Douglas-Gallardo, Matías Berdakin, Thomas Frauenheim, et al.Physical Chemistry Chemical Physics : PCCP|October 18, 2012
On the stabilization mechanisms of organic functional groups on ZnO surfacesNey Henrique Moreira, Adriel Domıinguez, Thomas Frauenheim, et al.Environmental Science & Technology|December 12, 2024
Chemical Composition of Secondary Organic Aerosol Formed from the Oxidation of Semivolatile Isoprene Epoxydiol Isomerization ProductsMolly Frauenheim, John Offenberg, Zhenfa Zhang, et al.Scientific Reports|January 29, 2022
Density functional tight binding approach utilized to study X-ray-induced transitions in solid materialsVladimir Lipp, Victor Tkachenko, Michal Stransky, et al.Journal of Physics. Condensed Matter : an Institute of Physics Journal|June 23, 2011
Mechanical properties of solid C(60) studied with density functional tight binding method augmented by an empirical dispersion termChao Feng, Chong Zhang, Ruiqin Zhang, et al.Chemical Society Reviews|May 19, 2012
Proton transport in functionalised additives for PEM fuel cells: contributions from atomistic simulationsPia Tölle, Christof Köhler, Roland Marschall, et al.The Journal of Chemical Physics|December 13, 2022
Investigation of plasmon relaxation mechanisms using nonadiabatic molecular dynamicsXiaoyan Wu, Baopi Liu, Thomas Frauenheim, et al.The Journal of Physical Chemistry Letters|May 16, 2022
Anisotropic Phononic and Electronic Thermal Transport in BeN<sub>4</sub>Zhen Tong, Alessandro Pecchia, ChiYung Yam, et al.The Journal of Physical Chemistry. A|June 8, 2007
Self-interaction and strong correlation in DFTBB Hourahine, S Sanna, B Aradi, et al.Pageof 26