In: Analytical and Bioanalytical Chemistry, 2015, vol. 407, no. 10, p. 2837-2845
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In: Journal of Molecular Modeling, 2015, vol. 21, no. 7, p. 1-10
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In: The European Physical Journal D, 2015, vol. 69, no. 7, p. 1-28
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In: Brain Topography, 2015, vol. 28, no. 3, p. 411-422
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In: Journal of Inherited Metabolic Disease, 2015, vol. 38, no. 5, p. 957-967
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In: Inorganic Chemistry, 2010, vol. 49, no. 22, p. 10370-10377
The electronic description of octahedral (fac-[M(CO)(3)L(3)](n), with M = Re, Ru, and Mn, and [Cr(CO)(5)L](n)), square-planar (cis-[Pt(CO)(2)L(2)](n)), and tetrahedral ([Ni(CO)(3)L](n)) carbonyl complexes (where L = monodentate ligand) was obtained via density functional theory and natural population analyses in order to understand what effects are probed in these species by vibrational...
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In: Physical Review B, 2020, vol. 101, no. 19, p. 195139
The high-harmonic spectrum of the Mott insulating Hubbard model has recently been shown to exhibit plateau structures with cutoff energies determined by nth-nearest- neighbor doublon-holon recombination processes. The spectrum thus allows one to extract the on-site repulsion U. Here, we consider generalizations of the single-band Hubbard model and discuss the signatures of bosonic excitations...
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In: The Journal of Physical Chemistry C, 2020, vol. 124, no. 19, p. 10441–10452
We report on the formation of a two-dimensional supramolecular Kondo lattice made of organic molecules comprising only C, N, and H atoms, namely metal-free phthalocyanines 2HPc (C32H18N8), adsorbed on a Ag(111) surface. Low-temperature scanning tunneling microscopy/spectroscopy (LT-STM/STS), ultraviolet photoemission spectroscopy (UPS), and density functional theory (DFT) are used to...
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In: Physical Review B, 2020, vol. 101, no. 12, p. 125205
Zirconium pentatetelluride, ZrTe5, shows remarkable sensitivity to hydrostatic pressure. In this work we address the high-pressure transport and optical properties of this compound, on samples grown by flux and chemical vapor transport. The high-pressure resistivity is measured up to 2 GPa, and the infrared transmission up to 9 GPa. The dc conductivity anisotropy is determined using a...
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In: Swiss Journal of Geosciences, 2019, vol. 112, no. 2, p. 383–417
The lizard and snake fauna from the late middle–late Eocene (MP 16–MP 20) of Dielsdorf, near Zurich, Switzerland, is described comprehensively in this paper. Detailed comparisons of the Dielsdorf material with other extinct taxa allow us to establish a new species of the large “booid” genus Palaeopython, i.e., Palaeopython helveticus sp. nov., characterized by a unique combination of...
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