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PyFLOSIC: Python-based Fermi–Löwdin orbital self-interaction correction

The Journal of chemical physics, 2020-08, Vol.153 (8), p.084104-084104

2020

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Bond formation insights into the Diels–Alder reaction: A bond perception and self-interaction perspective

The Journal of chemical physics, 2023-04, Vol.158 (16)

2023

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EVO—Evolutionary algorithm for crystal structure prediction

Computer physics communications, 2013-06, Vol.184 (6), p.1618-1625

2013

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Chemical bonding theories as guides for self-interaction corrected solutions: Multiple local minima and symmetry breaking

The Journal of chemical physics, 2021-12, Vol.155 (22), p.224109-224109

2021

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Can large magnetic anisotropy and high spin really coexist?

Chemical communications (Cambridge, England), 2008-01 (1), p.52-54

2008

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Current progress in the theoretical understanding of MgB2

Physica. C, Superconductivity, 2007-06, Vol.456 (1-2), p.54-62

Kortus, Jens

2007

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Di- and Triferrocenyl (Hetero)Aromatics: Synthesis, Characterization, (Spectro-)Electrochemistry, and Calculations

Organometallics, 2012-10, Vol.31 (19), p.6761-6771

2012

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Coordination chemistry of Robson-type polyamine-dithiophenolate macrocycles: Syntheses, structures and magnetic properties of dinuclear complexes of first-row transition metals

Coordination chemistry reviews, 2009-10, Vol.253 (19), p.2244-2260

2009

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PyRamanGUI: Open-source graphical user interface for analyzing Raman spectra

SoftwareX, 2023-07, Vol.23, p.101486, Article 101486

2023

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Raman tensor elements and Faust-Henry coefficients of wurtzite-type α -GaN: How to overcome the dilemma of the sign of Faust-Henry coefficients in α -GaN?

Journal of applied physics, 2014-12, Vol.116 (24)

2014

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Optical properties of epitaxial BiFeO3 thin films grown on LaAlO3

Applied physics letters, 2015-01, Vol.106 (1)

2015

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Ferroelastic domain identification in BiFeO3 crystals using Raman spectroscopy

Scientific reports, 2019-01, Vol.9 (1), p.379-379, Article 379

2019

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Crystal Growth, Structure, and Transport Properties of the Charge-Transfer Salt Picene/2,3,5,6-Tetrafluoro-7,7,8,8-tetracyanoquinodimethane

Crystal growth & design, 2014-03, Vol.14 (3), p.1338-1346

2014

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Electronic properties of the charge transfer material MnPc/F4TCNQ

The Journal of chemical physics, 2016-09, Vol.145 (11)

2016

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Indium thiospinel In1-x□xIn2S4 - structural characterization and thermoelectric properties

Dalton transactions : an international journal of inorganic chemistry, 2019

2019

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Wavevector-dependent optical properties from wavevector-independent proper conductivity tensor

The European physical journal. B, Condensed matter physics, 2020-03, Vol.93 (3), Article 54

2020

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A theoretical investigation into gallic acid pyrolysis

Journal of computational chemistry, 2022-06, Vol.43 (15), p.1023-1032

2022

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Influence of piezoelectric strain on the Raman spectra of BiFeO3 films deposited on PMN-PT substrates

Applied physics letters, 2016-01, Vol.108 (4)

2016

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Electronic structure, transport, and collective effects in molecular layered systems

Beilstein journal of nanotechnology, 2017-10, Vol.8 (1), p.2094-2105

2017

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Theoretical and experimental investigations of 129Xe NMR chemical shift isotherms in metal–organic frameworks

Physical chemistry chemical physics : PCCP, 2018-01, Vol.20 (38), p.25039-25043

2018

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Charge transfer from and to manganese phthalocyanine: bulk materials and interfaces

Beilstein journal of nanotechnology, 2017-08, Vol.8 (1), p.1601-1615

2017

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Reaction Sintering of MgAlON at 1500 °C from Al2O3, MgO and AlN and Its Wettability by AlSi7Mg

Crystals (Basel), 2022-05, Vol.12 (5), p.654

2022

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Synthesis and properties of new 9,10-anthraquinone derived compounds for molecular electronics

New journal of chemistry, 2013, Vol.37 (3), p.601-610

2013

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Optical and magneto-optical properties of metal phthalocyanine and metal porphyrin thin films

Journal of physics. Condensed matter, 2014-03, Vol.26 (10), p.104201-104201

2014

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Unexpected Phonon Behaviour in BiFexCr1−xO3, a Material System Different from Its BiFeO3 and BiCrO3 Parents

Nanomaterials (Basel, Switzerland), 2022-05, Vol.12 (9), p.1607

2022

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PyFLOSIC: Python-based Fermi–Löwdin orbital self-interaction correction

Bond formation insights into the Diels–Alder reaction: A bond perception and self-interaction perspective

EVO—Evolutionary algorithm for crystal structure prediction

Chemical bonding theories as guides for self-interaction corrected solutions: Multiple local minima and symmetry breaking

Can large magnetic anisotropy and high spin really coexist?

Current progress in the theoretical understanding of MgB2

Di- and Triferrocenyl (Hetero)Aromatics: Synthesis, Characterization, (Spectro-)Electrochemistry, and Calculations

Coordination chemistry of Robson-type polyamine-dithiophenolate macrocycles: Syntheses, structures and magnetic properties of dinuclear complexes of first-row transition metals

PyRamanGUI: Open-source graphical user interface for analyzing Raman spectra

Raman tensor elements and Faust-Henry coefficients of wurtzite-type α -GaN: How to overcome the dilemma of the sign of Faust-Henry coefficients in α -GaN?

Optical properties of epitaxial BiFeO3 thin films grown on LaAlO3

Ferroelastic domain identification in BiFeO3 crystals using Raman spectroscopy

Crystal Growth, Structure, and Transport Properties of the Charge-Transfer Salt Picene/2,3,5,6-Tetrafluoro-7,7,8,8-tetracyanoquinodimethane

Electronic properties of the charge transfer material MnPc/F4TCNQ

Indium thiospinel In1-x□xIn2S4 - structural characterization and thermoelectric properties

Wavevector-dependent optical properties from wavevector-independent proper conductivity tensor

A theoretical investigation into gallic acid pyrolysis

Influence of piezoelectric strain on the Raman spectra of BiFeO3 films deposited on PMN-PT substrates

Electronic structure, transport, and collective effects in molecular layered systems

Theoretical and experimental investigations of 129Xe NMR chemical shift isotherms in metal–organic frameworks

Charge transfer from and to manganese phthalocyanine: bulk materials and interfaces

Reaction Sintering of MgAlON at 1500 °C from Al2O3, MgO and AlN and Its Wettability by AlSi7Mg

Synthesis and properties of new 9,10-anthraquinone derived compounds for molecular electronics

Optical and magneto-optical properties of metal phthalocyanine and metal porphyrin thin films

Unexpected Phonon Behaviour in BiFexCr1−xO3, a Material System Different from Its BiFeO3 and BiCrO3 Parents

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