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A gate controlled molecular switch based on picene-F₄TCNQ charge-transfer material ⬇️

artículo científico publicado en 2014

An interplay between the spin density distribution and magnetic superexchange interactions: a case study of mononuclear [nBu4N]2[Cu(opooMe)] and novel asymmetric trinuclear [Cu3(opooMe)(pmdta)2](NO3)2·3MeCN

artículo científico publicado en 2012

Analytic atomic gradients in the fermi-löwdin orbital self-interaction correction

scientific article published on 27 December 2018

Fermi-Löwdin orbital self-interaction corrected density functional theory: Ionization potentials and enthalpies of formation

article

Hybrid states and charge transfer at a phthalocyanine heterojunction: MnPc(δ+)/F16CoPc(δ-)

artículo científico publicado en 2012

Interpretation and Automatic Generation of Fermi-Orbital Descriptors

artículo científico publicado en 2019

Magnetic superexchange interactions: trinuclear bis(oxamidato) versus bis(oxamato) type complexes

artículo científico publicado en 2015

Redox-Active Ferrocene as a Tuning Functionality for Magnetic Superexchange Interactions of Bis(oxamato) Type Complexes

artículo científico publicado en 2013

Self-consistent self-interaction corrected density functional theory calculations for atoms using Fermi-Löwdin orbitals: Optimized Fermi-orbital descriptors for Li-Kr

artículo científico publicado en 2017

Stretched or noded orbital densities and self-interaction correction in density functional theory

scientific article published on 01 May 2019

Symmetry Breaking within Fermi-Löwdin Orbital Self-Interaction Corrected Density Functional Theory

artículo científico publicado en 2017

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