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Automated Bonding Analysis with Crystal Orbital Hamilton Populations.
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- ChemPlusChem, 2022, v. 87, n. 11, p. 1, doi. 10.1002/cplu.202200123
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Automated Bonding Analysis with Crystal Orbital Hamilton Populations.
- Published in:
- ChemPlusChem, 2022, v. 87, n. 11, p. 1, doi. 10.1002/cplu.202200123
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- Publication type:
- Article
Front Cover: Automated Bonding Analysis with Crystal Orbital Hamilton Populations (ChemPlusChem 11/2022).
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- ChemPlusChem, 2022, v. 87, n. 11, p. 1, doi. 10.1002/cplu.202200245
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- Article
Considering the Role of Ion Transport in Diffuson‐Dominated Thermal Conductivity.
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- Advanced Energy Materials, 2022, v. 12, n. 22, p. 1, doi. 10.1002/aenm.202200717
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- Article
Ungewöhnliche Oxidationsstufen, (un)gewöhnliche Maßnahmen.
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- Nachrichten aus der Chemie, 2021, v. 69, n. 4, p. 73, doi. 10.1002/nadc.20214109053
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- Article
Die Materialsynthesemaschine.
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- Nachrichten aus der Chemie, 2020, v. 68, n. 12, p. 66, doi. 10.1002/nadc.20204096061
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- Article
Temperatur mit Licht messen.
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- Nachrichten aus der Chemie, 2020, v. 68, n. 10, p. 68, doi. 10.1002/nadc.20204096060
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- Article
LOBSTER: Local orbital projections, atomic charges, and chemical‐bonding analysis from projector‐augmented‐wave‐based density‐functional theory.
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- Journal of Computational Chemistry, 2020, v. 41, n. 21, p. 1931, doi. 10.1002/jcc.26353
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- Article
ChemEnv: a fast and robust coordination environment identification tool.
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- Acta Crystallographica Section B: Structural Science, Crystal Engineering & Materials, 2020, v. 76, n. 4, p. 683, doi. 10.1107/S2052520620007994
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- Article
Vorhersagen aus Hochdurchsatzstudien.
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- Nachrichten aus der Chemie, 2020, v. 68, n. 7/8, p. 80, doi. 10.1002/nadc.20204096056
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- Article
Das Rezept für schmalbandige Leuchtstoffe.
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- Nachrichten aus der Chemie, 2020, v. 68, n. 6, p. 54, doi. 10.1002/nadc.20204096059
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- Article
The Limited Predictive Power of the Pauling Rules.
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- Angewandte Chemie, 2020, v. 132, n. 19, p. 7639, doi. 10.1002/ange.202000829
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- Article
The Limited Predictive Power of the Pauling Rules.
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- Angewandte Chemie International Edition, 2020, v. 59, n. 19, p. 7569, doi. 10.1002/anie.202000829
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- Article
Neue Materialien vorhersagen: Maschinelles Lernen als Werkzeug.
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- Nachrichten aus der Chemie, 2020, v. 68, n. 2, p. 49, doi. 10.1002/nadc.20204093535
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- Article
The many flavours of halogen bonds – message from experimental electron density and Raman spectroscopy.
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- Acta Crystallographica Section C: Structural Chemistry, 2019, v. 75, n. 9, p. 1190, doi. 10.1107/S205322961901132X
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- Article
High-throughput computational discovery of In<sub>2</sub>Mn<sub>2</sub>O<sub>7</sub> as a high Curie temperature ferromagnetic semiconductor for spintronics.
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- NPJ Computational Materials, 2019, v. 5, n. 1, p. N.PAG, doi. 10.1038/s41524-019-0208-x
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- Article
First Full Structural Characterization of Chloro Formamidinium Salts.
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- Zeitschrift für Anorganische und Allgemeine Chemie, 2018, v. 644, n. 22, p. 1485, doi. 10.1002/zaac.201800164
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Synthesis, Crystal Structure, Polymorphism, and Magnetism of Eu(CN<sub>3</sub>H<sub>4</sub>)<sub>2</sub> and First Evidence of EuC(NH)<sub>3</sub>.
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- Inorganics, 2017, v. 5, n. 1, p. 10, doi. 10.3390/inorganics5010010
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- Article
Synthese, Struktur und Eigenschaften von SrC(NH)<sub>3</sub>, einem stickstoffbasierten Carbonatanalogon mit Trinacriamotiv.
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- Angewandte Chemie, 2015, v. 127, n. 41, p. 12339, doi. 10.1002/ange.201507113
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- Article
Synthesis, Structure, and Properties of SrC(NH)<sub>3</sub>, a Nitrogen-Based Carbonate Analogue with the Trinacria Motif.
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- Angewandte Chemie International Edition, 2015, v. 54, n. 41, p. 12171, doi. 10.1002/anie.201507113
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- Article
On the DFT Ground State of Crystalline Bromine and Iodine.
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- ChemPhysChem, 2015, v. 16, n. 4, p. 728, doi. 10.1002/cphc.201402890
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Inside Back Cover: On the DFT Ground State of Crystalline Bromine and Iodine (ChemPhysChem 4/2015).
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- ChemPhysChem, 2015, v. 16, n. 4, p. 887, doi. 10.1002/cphc.201590021
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- Article
β-CuN<sub>3</sub>: die übersehene Grundzustandsmodifikation des Kupferazids mit heterographenartigen Schichten.
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- Angewandte Chemie, 2015, v. 127, n. 6, p. 1977, doi. 10.1002/ange.201410987
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- Article
β-CuN<sub>3</sub>: The Overlooked Ground-State Polymorph of Copper Azide with Heterographene-Like Layers.
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- Angewandte Chemie International Edition, 2015, v. 54, n. 6, p. 1954, doi. 10.1002/anie.201410987
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Synthesis, Structure Determination and Electronic Structure of Magnesium Nitride Chloride, Mg<sub>2</sub>NCl.
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- Zeitschrift für Anorganische und Allgemeine Chemie, 2015, v. 641, n. 2, p. 266, doi. 10.1002/zaac.201400496
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- Article