12 citations · 14 across the 3 of their papers we have counts for
4 papers
Charge-induced maximal spin states of a polynuclear transition-metal complex
C. Romeike, M. R. Wegewijs, M. Ruben +2
We theoretically investigate the ground state spin of a polynuclear transition-metal complex as a function of the number of added electrons taking into account strong electron corr…
Breakdown of the Luttinger sum-rule at the Mott-Hubbard transition in the one-dimensional t1-t2 Hubbard model
Claudius Gros, Kay Hamacher, Wolfgang Wenzel
We investigate the momentum distribution function near the Mott-Hubbard transition in the one-dimensional t1-t2 Hubbard model (the zig-zag Hubbard chain), with the density-matrix r…
In-silico folding of a three helix protein and characterization of its free-energy landscape in an all-atom forcefield
T. Herges, W. Wenzel
We report the reproducible first-principles folding of the 40 amino acid, three-helix headpiece of the HIV accessory protein in a recently developed all-atom free-energy forcefield…
Non-Linear Transport through a Molecular Nanojunction
Matthias H. Hettler, Herbert Schoeller, Wolfgang Wenzel
We present a simple model of electrical transport through a metal-molecule-metal nanojunction that includes charging effects as well as aspects of the electronic structure of the m…