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Consortium of Swiss Academic Libraries

An introduction to the problem of bridging quantum and classical dynamics

Bonella, S. ; Ciccotti, G.

In: The European Physical Journal Special Topics, 2015, vol. 224, no. 12, p. 2305-2320

Consortium of Swiss Academic Libraries

Electronic Structure and Properties of Superconducting Materials with Simple Fermi Surfaces

Jarlborg, T.

In: Journal of Superconductivity and Novel Magnetism, 2015, vol. 28, no. 4, p. 1231-1236

Consortium of Swiss Academic Libraries

Perturbing Misiurewicz Parameters in the Exponential Family

Dobbs, Neil

In: Communications in Mathematical Physics, 2015, vol. 335, no. 2, p. 571-608

Université de Fribourg

Ligand electronic parameters as a measure of the polarization of the C≡O bond in [M(CO)(x)L(y)]n complexes and of the relative stabilization of [M(CO)(x)L(y)](n/n+1) species

Zobi, Fabio

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...

Université de Fribourg

Lithium-salt mediated synthesis of a covalent triazine framework for highly stable lithium metal batteries

Zhou, Tianhong ; Zhao, Yan ; Choi, Jang Wook ; Coskun, Ali

In: Angewandte Chemie International Edition, 2019, vol. 58, no. 47, p. 16795–16799

A new strategy for the synthesis of a covalent triazine framework (CTF‐1) was introduced based on the cyclotrimerization reaction of 1,4‐dicyanobenzene using lithium bis(trifluoromethanesulfonyl)imide (LiTFSI) under ionothermal conditions. LiTFSI not only served as a catalyst, but also facilitated the in situ generation and homogeneous distribution of LiF particles across the framework....