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Noncovalent Functionalization of Black Phosphorus.
Abellán G, Lloret V, Mundloch U, Marcia M, Neiss C, Görling A, Varela M, Hauke F, Hirsch A. Abellán G, et al. Among authors: gorling a. Angew Chem Int Ed Engl. 2016 Nov 14;55(47):14557-14562. doi: 10.1002/anie.201604784. Epub 2016 Oct 20. Angew Chem Int Ed Engl. 2016. PMID: 27763706
Accurate Valence Ionization Energies from Kohn-Sham Eigenvalues with the Help of Potential Adjustors.
Thierbach A, Neiss C, Gallandi L, Marom N, Körzdörfer T, Görling A. Thierbach A, et al. Among authors: gorling a. J Chem Theory Comput. 2017 Oct 10;13(10):4726-4740. doi: 10.1021/acs.jctc.7b00490. Epub 2017 Sep 14. J Chem Theory Comput. 2017. PMID: 28783360
The first as well as higher ionization potentials are obtained as the negatives of the Kohn-Sham eigenvalues of the neutral molecule after adjusting the eigenvalues by a recently [ Gorling Phys. Rev. B 2015 , 91 , 245120 ] introduced potential adjustor for exchange- …
The first as well as higher ionization potentials are obtained as the negatives of the Kohn-Sham eigenvalues of the neutral molecule after a …
Gallium-rich Pd-Ga phases as supported liquid metal catalysts.
Taccardi N, Grabau M, Debuschewitz J, Distaso M, Brandl M, Hock R, Maier F, Papp C, Erhard J, Neiss C, Peukert W, Görling A, Steinrück HP, Wasserscheid P. Taccardi N, et al. Among authors: gorling a. Nat Chem. 2017 Sep;9(9):862-867. doi: 10.1038/nchem.2822. Epub 2017 Jul 24. Nat Chem. 2017. PMID: 28837180
158 results