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Journal of Computational Chemistry|April 23, 2022
A theoretical investigation into gallic acid pyrolysisJakob Kraus, Jens Kortus
The Journal of Chemical Physics|September 3, 2020
PyFLOSIC: Python-based Fermi-Löwdin orbital self-interaction correctionSebastian Schwalbe, Lenz Fiedler, Jakob Kraus, et al.
Physical Chemistry Chemical Physics : PCCP|July 30, 2025
A thermodynamic assessment of the decomposition and rehydrogenation of o1-Ba(BH4)2 based on DFT calculations and correlation functionsKonrad Burkmann, Markus Mehlhorn, Angus Demmer, et al.
Journal of Computational Chemistry|September 11, 2019
Interpretation and Automatic Generation of Fermi-Orbital DescriptorsSebastian Schwalbe, Kai Trepte, Lenz Fiedler, et al.
Nanoscale|October 28, 2014
A gate controlled molecular switch based on picene-F₄TCNQ charge-transfer materialTorsten Hahn, Simon Liebing, Jens Kortus
Chemical Communications (Cambridge, England)|July 15, 2009
Single-molecule magnet Fe9 supramolecular dimers: a theoretical approach to intramolecular and intermolecular exchange interactionsSilvia Gómez-Coca, Eliseo Ruiz, Jens Kortus
Physical Review Letters|December 17, 2004
Three-dimensional MgB2-type superconductivity in hole-doped diamondLilia Boeri, Jens Kortus, O K Andersen
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 Kortus
Beilstein Journal of Nanotechnology|November 2, 2017
Electronic structure, transport, and collective effects in molecular layered systemsTorsten Hahn, Tim Ludwig, Carsten Timm, et al.
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