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Chemical Bonding Origin of the Thermoelectric Power Factor in Half-Heusler Semiconductors

Chemistry of materials, 2021-07, Vol.33 (13), p.5308-5316

2021

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X-ray electron density investigation of chemical bonding in van der Waals materials

Nature materials, 2018-03, Vol.17 (3), p.249-252

2018

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Chemical bonding origin of the unexpected isotropic physical properties in thermoelectric Mg3Sb2 and related materials

Nature communications, 2018-11, Vol.9 (1), p.1-10, Article 4716

2018

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Electron Density Studies in Materials Research

Chemistry : a European journal, 2019-11, Vol.25 (66), p.15010-15029

2019

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Direct observation of one-dimensional disordered diffusion channel in a chain-like thermoelectric with ultralow thermal conductivity

Nature communications, 2021-11, Vol.12 (1), p.6709-6709, Article 6709

2021

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Models of orientational disorder in hybrid organic-inorganic piezoelectric materials

Journal of materials chemistry. C, Materials for optical and electronic devices, 2023-07, Vol.11 (26), p.8885-8891

2023

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Frontispiece: Electron Density Studies in Materials Research

Chemistry : a European journal, 2019-11, Vol.25 (66), p.n/a

2019

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Imperfections are not 0 K: free energy of point defects in crystals

Chemical Society reviews, 2023-08, Vol.52 (17), p.5812-5826

2023

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Quantification of the Magnetic Anisotropy of a Single‐Molecule Magnet from the Experimental Electron Density

Angewandte Chemie International Edition, 2020-11, Vol.59 (47), p.21203-21209

International ed. in English, 2020

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Multipole electron densities and structural parameters from synchrotron powder X‐ray diffraction data obtained with a MYTHEN detector system (OHGI)

Acta crystallographica. Section A, Foundations and advances, 2021-03, Vol.77 (2), p.85-95

2021

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Anharmonic lattice dynamics of superionic lithium nitride

Journal of materials chemistry. A, Materials for energy and sustainability, 2022-02, Vol.10 (5), p.2295-2304

2022

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Accurate high‐resolution single‐crystal diffraction data from a Pilatus3 X CdTe detector

Journal of applied crystallography, 2020-06, Vol.53 (3), p.635-649

2020

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Band gap opening from displacive instabilities in layered covalent-organic frameworks

Journal of materials chemistry. A, Materials for energy and sustainability, 2022-06, Vol.1 (25), p.135-1357

2022

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Chemical Bonding in Colossal Thermopower FeSb2

Chemistry : a European journal, 2020-07, Vol.26 (39), p.8651-8662

2020

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Chemical bonding origin of the thermoelectric power factor in half-Heusler semiconductors

Acta crystallographica. Section A, Foundations and advances, 2021-08, Vol.77 (a2), p.C278-C278

Tolborg, Kasper

2021

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Room-temperature stacking disorder in layered covalent-organic frameworks from machine-learning force fields

Materials horizons, 2023-07, Vol.1 (8), p.2883-2891

2023

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Low‐Barrier Hydrogen Bonds in Negative Thermal Expansion Material H3[Co(CN)6]

Chemistry : a European journal, 2019-05, Vol.25 (27), p.6814-6822

2019

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Low-Cost Vibrational Free Energies in Solid Solutions with Machine Learning Force Fields

The journal of physical chemistry letters, 2023-12, Vol.14 (51), p.11618-11624

2023

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Exploring the High-Temperature Stabilization of Cubic Zirconia from Anharmonic Lattice Dynamics

Crystal growth & design, 2023-05, Vol.23 (5), p.3314-3319

2023

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Multipole electron densities and atomic displacement parameters in urea from accurate powder X‐ray diffraction

Acta crystallographica. Section A, Foundations and advances, 2019-07, Vol.75 (4), p.600-609

2019

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Quantification of the Magnetic Anisotropy of a Single‐Molecule Magnet from the Experimental Electron Density

Angewandte Chemie, 2020-11, Vol.132 (47), p.21389-21395

2020

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Temperature dependence of dynamic dipole formation in PbTe

Physical review. B, 2020-07, Vol.102 (2), Article 024112

2020

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Chemical bonding origin of the unexpected isotropic physical properties in thermoelectric Mg 3 Sb 2 and related materials

Nature communications, 2018-12, Vol.9 (1), p.4716

2018

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Accurate charge densities from powder X‐ray diffraction – a new version of the Aarhus vacuum imaging‐plate diffractometer

Acta crystallographica Section B, Structural science, crystal engineering and materials, 2017-08, Vol.73 (4), p.521-530

2017

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Nature of the Superionic Phase Transition of Lithium Nitride from Machine Learning Force Fields

Chemistry of materials, 2023-08, Vol.35 (15), p.6133-6140

2023

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Chemical Bonding Origin of the Thermoelectric Power Factor in Half-Heusler Semiconductors

X-ray electron density investigation of chemical bonding in van der Waals materials

Chemical bonding origin of the unexpected isotropic physical properties in thermoelectric Mg3Sb2 and related materials

Electron Density Studies in Materials Research

Direct observation of one-dimensional disordered diffusion channel in a chain-like thermoelectric with ultralow thermal conductivity

Models of orientational disorder in hybrid organic-inorganic piezoelectric materials

Frontispiece: Electron Density Studies in Materials Research

Imperfections are not 0 K: free energy of point defects in crystals

Quantification of the Magnetic Anisotropy of a Single‐Molecule Magnet from the Experimental Electron Density

Multipole electron densities and structural parameters from synchrotron powder X‐ray diffraction data obtained with a MYTHEN detector system (OHGI)

Anharmonic lattice dynamics of superionic lithium nitride

Accurate high‐resolution single‐crystal diffraction data from a Pilatus3 X CdTe detector

Band gap opening from displacive instabilities in layered covalent-organic frameworks

Chemical Bonding in Colossal Thermopower FeSb2

Chemical bonding origin of the thermoelectric power factor in half-Heusler semiconductors

Room-temperature stacking disorder in layered covalent-organic frameworks from machine-learning force fields

Low‐Barrier Hydrogen Bonds in Negative Thermal Expansion Material H3[Co(CN)6]

Low-Cost Vibrational Free Energies in Solid Solutions with Machine Learning Force Fields

Exploring the High-Temperature Stabilization of Cubic Zirconia from Anharmonic Lattice Dynamics

Multipole electron densities and atomic displacement parameters in urea from accurate powder X‐ray diffraction

Quantification of the Magnetic Anisotropy of a Single‐Molecule Magnet from the Experimental Electron Density

Temperature dependence of dynamic dipole formation in PbTe

Chemical bonding origin of the unexpected isotropic physical properties in thermoelectric Mg 3 Sb 2 and related materials

Accurate charge densities from powder X‐ray diffraction – a new version of the Aarhus vacuum imaging‐plate diffractometer

Nature of the Superionic Phase Transition of Lithium Nitride from Machine Learning Force Fields

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