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The Journal of Chemical Physics|November 4, 2017
Self-consistent self-interaction corrected density functional theory calculations for atoms using Fermi-Löwdin orbitals: Optimized Fermi-orbital descriptors for Li-KrDer-You Kao, Kushantha Withanage, Torsten Hahn, et al.Nanomaterials (Basel, Switzerland)|May 14, 2022
Unexpected Phonon Behaviour in BiFe<sub>x</sub>Cr<sub>1-x</sub>O<sub>3</sub>, a Material System Different from Its BiFeO<sub>3</sub> and BiCrO<sub>3</sub> ParentsCameliu Himcinschi, Felix Drechsler, David Sebastian Walch, et al.Inorganic Chemistry|November 7, 2012
Stabilization of hypophosphite in the binding pocket of a dinuclear macrocyclic complex: synthesis, structure, and properties of [Ni(2)L(μ-O(2)PH(2))]BPh(4) (L = N(6)S(2) donor ligand)Jochen Lach, Alexander Jeremies, Vasile Lozan, et al.The Journal of Chemical Physics|January 17, 2013
Phthalocyanine dimers in a blend: spectroscopic and theoretical studies of MnPc(δ +)/F(16)CoPc(δ -)Susi Lindner, Benjamin Mahns, Andreas König, et al.Scientific Reports|January 25, 2019
Ferroelastic domain identification in BiFeO<sub>3</sub> crystals using Raman spectroscopyCameliu Himcinschi, Jan Rix, Christian Röder, et al.The Journal of Chemical Physics|December 16, 2021
Chemical bonding theories as guides for self-interaction corrected solutions: Multiple local minima and symmetry breakingKai Trepte, Sebastian Schwalbe, Simon Liebing, et al.Journal of Physics. Condensed Matter : an Institute of Physics Journal|February 21, 2014
Optical and magneto-optical properties of metal phthalocyanine and metal porphyrin thin filmsTobias Birnbaum, Torsten Hahn, Claudia Martin, et al.Physical Chemistry Chemical Physics : PCCP|April 1, 2017
The origin of the measured chemical shift of <sup>129</sup>Xe in UiO-66 and UiO-67 revealed by DFT investigationsKai Trepte, Jana Schaber, Sebastian Schwalbe, et al.Physical Chemistry Chemical Physics : PCCP|September 25, 2018
Theoretical and experimental investigations of <sup>129</sup>Xe NMR chemical shift isotherms in metal-organic frameworksKai Trepte, Sebastian Schwalbe, Jana Schaber, et al.Beilstein Journal of Nanotechnology|September 9, 2017
Charge transfer from and to manganese phthalocyanine: bulk materials and interfacesFlorian Rückerl, Daniel Waas, Bernd Büchner, et al.Pageof 5