Dr. Hossam Elgabarty

Theoretische Chemie
Postdoc
Gruppenleiter
Büro­anschrift:
Warburger Str. 100
33098 Paderborn
Raum:
NW1.726

Publikationen

Aktuelle Publikationen

Benchmarking semiempirical quantum chemical methods on liquid water

X. Wu, H. Elgabarty, V. Alizadeh, A. Henao, F. Zysk, C. Plessl, S. Ehlert, J. Hutter, T.D. Kühne, The Journal of Chemical Physics 165 (2026).


Role of Irradiance in Light-Activated In2O3Gas Sensors: Why More Light Is Not Always Better

S. Voth, Z. Zhao, D. Baier, A. Glass, H. Elgabarty, O.J. Sandberg, G. Grundmeier, M. Tiemann, J.-H. Smått, N. Anttu, T. de los Arcos, C. Weinberger, ACS Sensors 11 (2026).


Benchmarking semi-empirical quantum chemical methods on liquid water

X. Wu, H. Elgabarty, V. Alizadeh, A. Henao Aristizabal, F. Zysk, C. Plessl, S. Ehlert, J. Hutter, T.D. Kühne, (2025).


Understanding Hydration in CPO‐27 Metal‐Organic Frameworks: Strong Impact of the Chemical Nature of the Metal (Cu, Zn)

M. Kloß, M. Beerbaum, D. Baier, C. Weinberger, F. Zysk, H. Elgabarty, T.D. Kühne, M. Tiemann, Advanced Materials Interfaces 11 (2024) 2400476.


Isostructural Series of a Cyclometalated Iron Complex in Three Oxidation States

J. Steube, L. Fritsch, A. Kruse, O.S. Bokareva, S. Demeshko, H. Elgabarty, R. Schoch, M. Alaraby, H. Egold, B.J. Bracht, L. Schmitz, S. Hohloch, T.D. Kühne, F. Meyer, O. Kühn, S. Lochbrunner, M. Bauer, Inorganic Chemistry (2024).


Alle Publikationen anzeigen

Lehre


Laufende Lehrveranstaltungen

  • Theoretische Spektroskopie
  • Scientific Practice and Data Management