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Journal of Chemical Theory and Computation|October 31, 2017
Symmetry Breaking within Fermi-Löwdin Orbital Self-Interaction Corrected Density Functional TheoryTorsten Hahn, Sebastian Schwalbe, Jens Kortus, et al.Journal of Computational Chemistry|October 12, 2018
Fermi-Löwdin orbital self-interaction corrected density functional theory: Ionization potentials and enthalpies of formationSebastian Schwalbe, Torsten Hahn, Simon Liebing, et al.Physical Review Letters|August 23, 2002
Fourth-order magnetic anisotropy and tunnel splittings in Mn(12) from spin-orbit-vibron interactionsMark R Pederson, Noam Bernstein, Jens KortusNanoscale|October 28, 2014
A gate controlled molecular switch based on picene-F₄TCNQ charge-transfer materialTorsten Hahn, Simon Liebing, Jens KortusPhysical Chemistry Chemical Physics : PCCP|March 1, 2016
Screening for high-spin metal organic frameworks (MOFs): density functional theory study on DUT-8(M1,M2) (with Mi = V,…,Cu)Sebastian Schwalbe, Kai Trepte, Gotthard Seifert, et al.Beilstein Journal of Nanotechnology|November 2, 2017
Electronic structure, transport, and collective effects in molecular layered systemsTorsten Hahn, Tim Ludwig, Carsten Timm, et al.Journal of Computational Chemistry|September 11, 2019
Interpretation and Automatic Generation of Fermi-Orbital DescriptorsSebastian Schwalbe, Kai Trepte, Lenz Fiedler, et al.Journal of Computational Chemistry|July 4, 2019
Magnetic Signatures of Hydroxyl- and Water-Terminated Neutral and Tetra-Anionic Mn12 -AcetateJavaria Batool, Torsten Hahn, Mark R PedersonPhysical Review Letters|October 4, 2012
Hybrid states and charge transfer at a phthalocyanine heterojunction: MnPc(δ+)/F16CoPc(δ-)Susi Lindner, Martin Knupfer, Rico Friedrich, et al.The Journal of Chemical Physics|September 3, 2020
PyFLOSIC: Python-based Fermi-Löwdin orbital self-interaction correctionSebastian Schwalbe, Lenz Fiedler, Jakob Kraus, et al.Pageof 11