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The last 5 uploaded publications
Screened hybrid density functionals applied to solids
Joachim Paier, Martijn Marsman, Kerstin Hummer, Kresse Georg, Iann C. Gerber, János G. Ángyán (2006). Screened hybrid density functionals applied to solids. The Journal of Chemical Physics, 124(15), DOI: 10.1063/1.2187006.
Article425 days agoCohesive Properties and Asymptotics of the Dispersion Interaction in Graphite by the Random Phase Approximation
Sébastien Lebègue∥, Judith Harl, Tim Gould, János G. Ángyán, Kresse Georg, John F. Dobson (2010). Cohesive Properties and Asymptotics of the Dispersion Interaction in Graphite by the Random Phase Approximation. Physical Review Letters, 105(19), DOI: 10.1103/physrevlett.105.196401.
Article425 days agoBrønsted Acid Sites in HSAPO-34 and Chabazite: An Ab Initio Structural Study
Yannick Jeanvoine, János G. Ángyán, Kresse Georg, Jürgen Häfner (1998). Brønsted Acid Sites in HSAPO-34 and Chabazite: An Ab Initio Structural Study. The Journal of Physical Chemistry B, 102(29), pp. 5573-5580, DOI: 10.1021/jp980341n.
Article418 days agoRange separated hybrid density functional with long-range Hartree-Fock exchange applied to solids
Iann C. Gerber, János G. Ángyán, Martijn Marsman, Kresse Georg (2007). Range separated hybrid density functional with long-range Hartree-Fock exchange applied to solids. The Journal of Chemical Physics, 127(5), DOI: 10.1063/1.2759209.
Article418 days agoOn the Nature of Water Interacting with Brønsted Acidic Sites. Ab Initio Molecular Dynamics Study of Hydrated HSAPO-34
Yannick Jeanvoine, János G. Ángyán, Kresse Georg, Jürgen Häfner (1998). On the Nature of Water Interacting with Brønsted Acidic Sites. Ab Initio Molecular Dynamics Study of Hydrated HSAPO-34. The Journal of Physical Chemistry B, 102(38), pp. 7307-7310, DOI: 10.1021/jp981667z.
Article408 days ago