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Na<sub>2</sub>C<sub>3</sub>O<sub>2</sub>: Die erste kristalline Verbindung mit dem ungewöhnlichen <sup>−</sup>C≡C−COO<sup>−</sup>‐Anion.
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- Angewandte Chemie, 2024, v. 136, n. 22, p. 1, doi. 10.1002/ange.202402978
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Na<sub>2</sub>C<sub>3</sub>O<sub>2</sub>: The First Crystalline Compound with the Elusive <sup>−</sup>C≡C−COO<sup>−</sup> Anion.
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- Angewandte Chemie International Edition, 2024, v. 63, n. 22, p. 1, doi. 10.1002/anie.202402978
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Switchable Chemical‐Bond Reorganization for the Stable Charge Trapping in Amorphous Silicon Nitride.
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- Advanced Materials, 2024, v. 36, n. 9, p. 1, doi. 10.1002/adma.202308054
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Finding the 'Goldilocks Zone': cationic size and tilting of carbodiimide and cyanamide anions.
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- Zeitschrift für Kristallographie. Crystalline Materials, 2024, v. 239, n. 1/2, p. 17, doi. 10.1515/zkri-2023-0049
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Exploring the Structure and Properties of V w Se y Te 2− y Mixed Crystals in the VTe 2 –VSe 2 System †.
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- Inorganics, 2023, v. 11, n. 12, p. 481, doi. 10.3390/inorganics11120481
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Interpenetration Phenomena via Anion Template Effects in Fe(II) and Co(II) Coordination Networks with a Bis-(1,2,4-triazole) Ligand.
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- Polymers (20734360), 2023, v. 15, n. 15, p. 3286, doi. 10.3390/polym15153286
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The Myth of "Metavalency" in Phase‐Change Materials.
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- Advanced Materials, 2023, v. 35, n. 30, p. 1, doi. 10.1002/adma.202300836
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Synthesis and Characterization of Iron Bispyridine Bisdicyanamide, Fe[C 5 H 5 N] 2 [N(CN) 2 ] 2.
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- Molecules, 2023, v. 28, n. 13, p. 4886, doi. 10.3390/molecules28134886
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POWTEX visits POWGEN.
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- Journal of Applied Crystallography, 2023, v. 56, n. 3, p. 633, doi. 10.1107/S1600576723002819
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On the atomistic origin of the polymorphism and the dielectric physical properties of beryllium oxide.
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- Journal of Computational Chemistry, 2023, v. 44, n. 10, p. 1052, doi. 10.1002/jcc.27064
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NiAs-derived cyanamide (carbodiimide) structures – a group-theoretical view.
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- Zeitschrift für Kristallographie. Crystalline Materials, 2023, v. 238, n. 3/4, p. 95, doi. 10.1515/zkri-2022-0062
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Synthesis and Crystal Structure of a New Orthorhombic Polytype of Potassium Ferricyanide.
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- Zeitschrift für Anorganische und Allgemeine Chemie, 2023, v. 649, n. 2, p. 1, doi. 10.1002/zaac.202200288
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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.
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- ChemPlusChem, 2022, v. 87, n. 11, p. 1, doi. 10.1002/cplu.202200123
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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
Exploring the Impact of Lone Pairs on the Structural Features of Alkaline‐Earth (A) Transition‐Metal (M,M') Chalcogenides (Q) AMM'Q<sub>3</sub>.
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- European Journal of Inorganic Chemistry, 2022, v. 2022, n. 28, p. 1, doi. 10.1002/ejic.202200360
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Bi<sub>12</sub>O<sub>17</sub>Cl<sub>2</sub> with a Sextuple BiO Layer Composed of Rock‐Salt and Fluorite Units and its Structural Conversion through Fluorination to Enhance Photocatalytic Activity.
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- Advanced Functional Materials, 2022, v. 32, n. 41, p. 1, doi. 10.1002/adfm.202204112
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Between Elemental Match and Mismatch: From K<sub>12</sub>Ge<sub>3.5</sub>Sb<sub>6</sub> to Salts of (Ge<sub>2</sub>Sb<sub>2</sub>)<sup>2−</sup>, (Ge<sub>4</sub>Sb<sub>12</sub>)<sup>4−</sup>, and (Ge<sub>4</sub>Sb<sub>14</sub>)<sup>4−</sup>
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- Angewandte Chemie, 2022, v. 134, n. 41, p. 1, doi. 10.1002/ange.202207232
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Titelbild: Between Elemental Match and Mismatch: From K<sub>12</sub>Ge<sub>3.5</sub>Sb<sub>6</sub> to Salts of (Ge<sub>2</sub>Sb<sub>2</sub>)<sup>2−</sup>, (Ge<sub>4</sub>Sb<sub>12</sub>)<sup>4−</sup>, and (Ge<sub>4</sub>Sb<sub>14</sub>)<sup>4−</sup> (Angew. Chem. 41/2022)
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- Angewandte Chemie, 2022, v. 134, n. 41, p. 1, doi. 10.1002/ange.202212564
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- Article
Between Elemental Match and Mismatch: From K<sub>12</sub>Ge<sub>3.5</sub>Sb<sub>6</sub> to Salts of (Ge<sub>2</sub>Sb<sub>2</sub>)<sup>2−</sup>, (Ge<sub>4</sub>Sb<sub>12</sub>)<sup>4−</sup>, and (Ge<sub>4</sub>Sb<sub>14</sub>)<sup>4−</sup>
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- Angewandte Chemie International Edition, 2022, v. 61, n. 41, p. 1, doi. 10.1002/anie.202207232
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Cover Picture: Between Elemental Match and Mismatch: From K<sub>12</sub>Ge<sub>3.5</sub>Sb<sub>6</sub> to Salts of (Ge<sub>2</sub>Sb<sub>2</sub>)<sup>2−</sup>, (Ge<sub>4</sub>Sb<sub>12</sub>)<sup>4−</sup>, and (Ge<sub>4</sub>Sb<sub>14</sub>)<sup>4−</sup> (Angew. Chem. Int. Ed. 41/2022)
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- Angewandte Chemie International Edition, 2022, v. 61, n. 41, p. 1, doi. 10.1002/anie.202212564
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- Article
Solvent-Induced Cobalt(II) Cyanoguanidine Bromides: Syntheses, Crystal Structure, Optical and Magnetic Properties.
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- Crystals (2073-4352), 2022, v. 12, n. 10, p. 1377, doi. 10.3390/cryst12101377
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A theoretical simulation of the magnetic properties of nanocomposites based on graphene nanoflakes.
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- International Journal of Quantum Chemistry, 2022, v. 122, n. 17, p. 1, doi. 10.1002/qua.26954
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The Crystal Structure of Carbonic Acid †.
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- Inorganics, 2022, v. 10, n. 9, p. N.PAG, doi. 10.3390/inorganics10090132
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Cu(C<sub>2</sub>N<sub>4</sub>H<sub>4</sub>)<sub>2</sub>Br<sub>2</sub>·2H<sub>2</sub>O: an antiferromagnetic cyanoguanidine coordination compound and its characterization.
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- Zeitschrift für Naturforschung B: A Journal of Chemical Sciences, 2022, v. 77, n. 6, p. 411, doi. 10.1515/znb-2022-0033
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Orbitale als Ausgangspunkt der Chemischen Bindung in Ge−Sb−Te‐Phasenwechselmaterialien**.
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- Angewandte Chemie, 2022, v. 134, n. 17, p. 1, doi. 10.1002/ange.202115778
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Innenrücktitelbild: Orbitale als Ausgangspunkt der Chemischen Bindung in Ge−Sb−Te‐Phasenwechselmaterialien (Angew. Chem. 17/2022).
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- Angewandte Chemie, 2022, v. 134, n. 17, p. 1, doi. 10.1002/ange.202204053
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The Orbital Origins of Chemical Bonding in Ge−Sb−Te Phase‐Change Materials**.
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- Angewandte Chemie International Edition, 2022, v. 61, n. 17, p. 1, doi. 10.1002/anie.202115778
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Inside Back Cover: The Orbital Origins of Chemical Bonding in Ge−Sb−Te Phase‐Change Materials (Angew. Chem. Int. Ed. 17/2022).
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- Angewandte Chemie International Edition, 2022, v. 61, n. 17, p. 1, doi. 10.1002/anie.202204053
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- Article
Redox‐Active Metaphosphate‐Like Terminals Enable High‐Capacity MXene Anodes for Ultrafast Na‐Ion Storage.
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- Advanced Materials, 2022, v. 34, n. 15, p. 1, doi. 10.1002/adma.202108682
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- Article
Synthesis and characterisation of the quaternary cyanamide Li<sub>2</sub>MgSn<sub>2</sub>(NCN)<sub>6</sub>.
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- Zeitschrift für Anorganische und Allgemeine Chemie, 2021, v. 647, n. 22, p. 2162, doi. 10.1002/zaac.202100132
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Long‐Range Forces in Rock‐Salt‐Type Tellurides and How they Mirror the Underlying Chemical Bonding.
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- Advanced Materials, 2021, v. 33, n. 37, p. 1, doi. 10.1002/adma.202100163
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Solid‐state quantum chemistry with ΘΦ (ThetaPhi): Spin‐liquids, superconductors, and magnetic superstructures made computationally available.
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- Journal of Computational Chemistry, 2021, v. 42, n. 21, p. 1498, doi. 10.1002/jcc.26561
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- Article
CeTiO<sub>2</sub>N oxynitride perovskite: paramagnetic <sup>14</sup>N MAS NMR without paramagnetic shifts.
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- Zeitschrift für Naturforschung B: A Journal of Chemical Sciences, 2021, v. 76, n. 5, p. 275, doi. 10.1515/znb-2021-0031
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Metathesis and Redetermination of the Crystal Structure of Cadmium Carbodiimide, CdNCN.
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- Zeitschrift für Anorganische und Allgemeine Chemie, 2021, v. 647, n. 5, p. 496, doi. 10.1002/zaac.202000472
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- Article
Vorhersage stickstoffbasierter Verbindungsklassen: Guanidinate TCN<sub>3</sub> (T=V, Nb, Ta) und Orthonitridocarbonate T′<sub>2</sub>CN<sub>4</sub> (T′=Ti, Zr, Hf) von Übergangsmetallen.
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- Angewandte Chemie, 2021, v. 133, n. 1, p. 490, doi. 10.1002/ange.202011196
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Predicting Nitrogen‐Based Families of Compounds: Transition‐Metal Guanidinates TCN<sub>3</sub> (T=V, Nb, Ta) and Ortho‐Nitrido Carbonates T′<sub>2</sub>CN<sub>4</sub> (T′=Ti, Zr, Hf).
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- Angewandte Chemie International Edition, 2021, v. 60, n. 1, p. 486, doi. 10.1002/anie.202011196
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- Article
Silver Cyanoguanidine Nitrate Hydrate: Ag(C 2 N 4 H 4)NO 3 ·½ H 2 O, a Cyanoguanidine Compound Coordinating by an Inner Nitrogen Atom.
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- Inorganics, 2020, v. 8, n. 12, p. 64, doi. 10.3390/inorganics8120064
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Syntheses, Crystal Structures, and Vibrational Properties of Two Lead Azide Halides PbN<sub>3</sub>X (X = Cl, Br).
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- Zeitschrift für Anorganische und Allgemeine Chemie, 2020, v. 646, n. 18, p. 1525, doi. 10.1002/zaac.202000064
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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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It's All in the (Cyanamide) Tilt: Synthesis and Structure of NaSc(NCN)<sub>2</sub>.
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- European Journal of Inorganic Chemistry, 2020, v. 2020, n. 27, p. 2596, doi. 10.1002/ejic.202000244
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Can we trust the experiment? Anisotropic displacement parameters in 1‐(halomethyl)‐3‐nitrobenzene (halogen = Cl or Br).
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- Acta Crystallographica Section C: Structural Chemistry, 2020, v. 76, n. 6, p. 591, doi. 10.1107/S2053229620006221
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Lattice Dynamics of Sb<sub>2</sub>Se<sub>3</sub> from Inelastic Neutron and X‐Ray Scattering.
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- Physica Status Solidi (B), 2020, v. 257, n. 6, p. 1, doi. 10.1002/pssb.202000063
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Time-dependent density-functional theory molecular-dynamics study on amorphization of Sc-Sb-Te alloy under optical excitation.
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- NPJ Computational Materials, 2020, v. 6, n. 1, p. 1, doi. 10.1038/s41524-020-0303-z
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- Article
Revisiting the Zintl‒Klemm Concept for ALn2Ag3Te5-Type Alkaline-Metal (A) Lanthanide (Ln) Silver Tellurides.
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- Crystals (2073-4352), 2020, v. 10, n. 3, p. 184, doi. 10.3390/cryst10030184
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- Article
Reversible High Capacity and Reaction Mechanism of Cr<sub>2</sub>(NCN)<sub>3</sub> Negative Electrodes for Li‐Ion Batteries.
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- Energy Technology, 2020, v. 8, n. 3, p. 1, doi. 10.1002/ente.201901260
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- Article
Quantum‐Chemical Study of the FeNCN Conversion‐Reaction Mechanism in Lithium‐ and Sodium‐Ion Batteries.
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- Angewandte Chemie, 2020, v. 132, n. 9, p. 3747, doi. 10.1002/ange.201914760
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- Article
Quantum‐Chemical Study of the FeNCN Conversion‐Reaction Mechanism in Lithium‐ and Sodium‐Ion Batteries.
- Published in:
- Angewandte Chemie International Edition, 2020, v. 59, n. 9, p. 3718, doi. 10.1002/anie.201914760
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- Article
Ammonothermal Synthesis, Crystal Structure, and Vibrational Properties of the Doubly Deprotonated Calcium Guanidinate, CaC(NH)<sub>3</sub>.
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- Zeitschrift für Anorganische und Allgemeine Chemie, 2020, v. 646, n. 3, p. 180, doi. 10.1002/zaac.202000012
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Arndt Simon zum 80. Geburtstag gewidmet.
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- Zeitschrift für Naturforschung B: A Journal of Chemical Sciences, 2020, v. 75, n. 1/2, p. 1, doi. 10.1515/znb-2019-0165
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