output
20022024
most citedAssessing the Performance of Recent Density Functionals for Bulk Solids

1k citations

researchers with a paper here

Counting papers with at most 25 authors, so collaboration author lists do not stand in for the people here.

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Showing 2019Show all

4 papers · 1 filter

cond-mat.mes-hall2019★ 22 cited

Intrinsic Rashba coupling due to Hydrogen bonding in DNA

S. Varela, B. Montañes, F. López +4

We present an analytical model for the role of hydrogen bonding on the spin-orbit coupling of model DNA molecule. Here we analyze in detail the electric fields due to the polarizat…

q-bio.QM2019★ 22 cited

Molecular rules for selectivity in lipase-catalysed acylation of lysine

L. Dettori, Christian Jelsch, Y. Guiavarc'h +4

The selectivity of L-lysine acylation by lauric acid catalysed by Candida antarctica lipase B (CALB) was investigated combining experimental and theoretical methodologies. Experime…

cond-mat.mtrl-sci2019★ 8 cited

Osmium-Nitrosyl Oxalato-Bridged Lanthanide-Centered Pentanuclear Complexes - Synthesis, Crystal Structures and Magnetic Properties

Anatolie Gavriluta, Nicolas Claiser, Paul-Steffen Kuhn +6

A series of pentanuclear heterometallic coordination compounds of the general formula (Bu 4 N) 5 [Ln{Os(NO)(-ox)-Cl 3 } 4 (H 2 O) n ] [Ln = Y (for 2) and Dy (for 3) when n = 0;…

cond-mat.mtrl-sci2019★ 13 cited

Interplay between spin dynamics and crystal field in multiferroic compound HoMnO

X. Fabreges, S. Petit, J. B. Brubach +7

In the multiferroic hexagonal manganite HoMnO3, inelastic neutron scattering and synchrotron based THz spectroscopy have been used to investigate the spin waves associated to the M…