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List of works by Richard Dronskowski

3D [Ag–Mg] polyanionic frameworks in the La4Ag10Mg3 and La4Ag10.3Mg12 new ternary compounds

A New Phase in the Binary Iron Nitrogen System?—The Prediction of Iron Pernitride, FeN2 ⬇️

scientific article published on 02 February 2011

A New Tool for Validating Theoretically Derived Anisotropic Displacement Parameters with Experiment: Directionality of Prolate Displacement Ellipsoids

A Novel Europium Carbodiimide that Contains Isolated Europium Tetrahedra and Parallel Chains of Edge-Sharing Open Handbag-Like Eu6 Units

scholarly article by Wuping Liao et al published November 2006 in European Journal of Inorganic Chemistry

A Rietveld refinement method for angular- and wavelength-dispersive neutron time-of-flight powder diffraction data

scientific article

A density‐functional study of the phase diagram of cementite‐type (Fe,Mn)3C at absolute zero temperature ⬇️

scientific article published on November 15, 2010

A ferromagnetic carbodiimide: Cr2(NCN)3.

scientific article published in June 2010

A theoretical study on the structures and energetics of hypothetical TiM(NCN)3 compounds of the 3d transition metals

scientific article published in August 2005

Ab initio lattice dynamics and thermochemistry of layered bismuth telluride (Bi2Te3).

scientific article

Ab initio study of the high‐temperature phase transition in crystalline GeO2 ⬇️

scientific article published on July 19, 2013

Ab initio thermochemistry of solid-state materials

scientific article published on July 2010

Ab initiostudy of ductility inM2AlC(M=Ti, V, Cr)

scholarly article in Physical Review B, vol. 75 no. 17, May 2007

Achieving band convergence by tuning the bonding ionicity in n‐type Mg 3 Sb 2

scientific article published on 19 March 2019

Advanced anode materials for sodium ion batteries: carbodiimides

scientific article published in 2017

Ammonothermal Synthesis, Crystal Structure, and Properties of the Ytterbium(II) and Ytterbium(III) Amides and the First Two Rare-Earth-Metal Guanidinates, YbC(NH)3 and Yb(CN3H4)3.

scientific article published in June 2016

Ammonothermal Synthesis, X-Ray and Time-of-Flight Neutron Crystal-Structure Determination, and Vibrational Properties of Barium Guanidinate, Ba(CNH)

scientific article published on 14 March 2019

An MnNCN-Derived Electrocatalyst for CuWO4 Photoanodes

scientific article published on 23 March 2018

Analytic projection from plane-wave and PAW wavefunctions and application to chemical-bonding analysis in solids

scientific article published on 10 September 2013

Anisotropic displacement parameters from dispersion-corrected DFT methods and their experimental validation by temperature-dependent X-ray diffraction

Anisotropic thermal motion in transition-metal carbonyls from experiments and ab initio theory

scientific article published on 11 August 2016

Anosovite-type V3O5: a new binary oxide of vanadium

scientific article published on 16 July 2012

Atomic motions in the layered copper pseudochalcogenide CuNCN indicative of a quantum spin-liquid scenario

scientific article published on 21 April 2017

Atomic-scale investigation of ε and θ precipitates in bainite in 100Cr6 bearing steel by atom probe tomography and ab initio calculations

Automated first-principles mapping for phase-change materials

scientific article

Band Gap Tuning in Bismuth Oxide Carbodiimide Bi2O2NCN

scientific article published on 16 April 2019

Bis(cyanoguanidine)silver(I) nitrate-cyanoguanidine (1/1).

scientific article

Bixbyite-type V2O3--a metastable polymorph of vanadium sesquioxide

scientific article published on 13 June 2011

Can we trust the experiment? Anisotropic displacement parameters in 1-(halomethyl)-3-nitrobenzene (halogen = Cl or Br)

scientific article published on 20 May 2020

Carbodiimides as energy materials: which directions for a reasonable future?

Carbodiimides: new materials applied as anode electrodes for sodium and lithium ion batteries

scientific article published in 2016

Cationic Pb2 Dumbbells Stabilized in the Highly Covalent Lead Nitridosilicate Pb2 Si5 N8

scientific article published on 03 January 2019

CeTiO 2 N oxynitride perovskite: paramagnetic 14 N MAS NMR without paramagnetic shifts

scientific article published in May 2021

ChemInform Abstract: Local Ordering and Magnetism in Ga0.9Fe3.1N

ChemInform Abstract: The Little Maghemite Story. A Classic Functional Material

Chemical Bonding of Crystalline LnB6 (Ln = La-Lu) and Its Relationship with Ln2B8 Gas-Phase Complexes

scientific article published on 27 September 2018

Chemical Reactions within Fe/AlN Layered Nanocomposites: A Simulation Study based on Crystal-Chemical Atomic Dynamics

Chemical Tuning of Carrier Type and Concentration in a Homologous Series of Crystalline Chalcogenides

scientific article published on 11 August 2017

Chemical synthesis, structural elucidation and quantum-chemical modeling of a doped gallium oxynitride prepared by precursor nitridation

Combining Electrocatalysts and Biobased Adsorbents for Sustainable Denitrification

scientific article published on 4 March 2021

Combining Electrocatalysts and Biobased Adsorbents for Sustainable Denitrification

scientific article published on 8 October 2020

Combining Electrocatalysts and Biobased Adsorbents for Sustainable Denitrification

scientific article

Conduction Band Control of Oxyhalides with a Triple-Fluorite Layer for Visible Light Photocatalysis

scientific article published on 08 January 2021

Construction of a hybrid clamped cell for high-pressure neutron-diffraction experiments with a large diamond window

scientific article published on 01 February 2019

Controlled Crystal Growth of Indium Selenide, In2Se3, and the Crystal Structures of α-In2Se3

scientific article published on 28 August 2018

Cooperativity of halogen, chalcogen, and pnictogen bonds in infinite molecular chains by electronic structure theory

scientific article published on 18 April 2014

Correction to Oxygen-Storage Materials BaYMn2O5+δ from the Quantum-Chemical Point of View

scholarly article published in Chemistry of Materials

Correction to The Ternary Nitrides GaFe3N and AlFe3N: Improved Synthesis and Magnetic Properties

scholarly article published in Chemistry of Materials

Cr2(NCN)3, a ferromagnetic carbodiimide with an unusual two-step magnetic transition

Crystal Structure Refinement of M(NCNH)2 (M = Fe, Co) Based on Combined Neutron and X-ray Diffraction Data

Crystal Structure, Chemical Bonding, and Magnetic Hyperfine Interactions in GdRu 2 SiC

scientific article published on 31 January 2008

Crystal orbital Hamilton populations (COHP): energy-resolved visualization of chemical bonding in solids based on density-functional calculations

scholarly article by Richard Dronskowski & Peter E. Bloechl published August 1993 in The journal of physical chemistry

Designing shape-memory Heusler alloys from first-principles

Determination of the magnetic structure of manganese carbodiimide with diffraction experiments using polarized neutrons

scholarly article in Physical Review B, vol. 80 no. 2, July 2009

Die Kristallstruktur von Mn2O7

Dimensionality of Intermolecular Interactions in Layered Crystals by Electronic-Structure Theory and Geometric Analysis

scientific article published on 03 November 2014

Direct atomic insight into the role of dopants in phase-change materials

scientific article published on 06 August 2019

Discovery of High-Performance Thermoelectric Chalcogenides through Reliable High-Throughput Material Screening

scientific article published on 21 August 2018

Dynamic Uptake and Release of Water in the Mixed-Metal EDTA Complex M3[Yb(EDTA)(CO3)] (M = K, Rb, Cs)

Effective Hamiltonian Crystal Field as applied to magnetic exchange parameters in μ-oxo-bridged Cr(III) dimers

scientific article published on 5 August 2013

Effective hamiltonian crystal field: Present status and applications to iron compounds

Eine NiAs-artige Hochdruckmodifikation von FeN

Electron group functions for the analysis of the electronic structures of molecules

scientific article

Electronic structure and thermodynamics of V2O3 polymorphs ⬇️

scientific article published on June 14, 2012

Enhanced Photoelectrochemical Water Oxidation Efficiency of CuWO 4 Photoanodes by Surface Modification with Ag 2 NCN

scientific article published on 20 November 2017

Eu8(NCN)5-deltaI6+2delta (delta= 0.05): a novel rare-earth carbodiimide iodide containing oligomeric tritetrahedral Eu8 clusters

scientific article published on 9 June 2005

EuI2, a low-temperature europium(II) iodide phase

scientific article published on 30 September 2009

Experimental and Theoretical Electronic Structure Investigations on α-Nb3Cl8 and the Intercalated Phase β‘-NaNb3Cl8 ⬇️

scientific article published on April 10, 1996

Experimental and Theoretical Investigation of the Elastic Moduli of Silicate Glasses and Crystals

Experimental and quantum-chemical studies on the thermochemical stabilities of mercury carbodiimide and mercury cyanamide

scientific article published in July 2003

Exploring the Origins of Improved Photocurrent by Acidic Treatment for Quaternary Tantalum-Based Oxynitride Photoanodes on the Example of CaTaO2N

scholarly article by Zili Ma et al published 4 December 2019 in Journal of Physical Chemistry C

FeNCN and Fe(NCNH)2: synthesis, structure, and magnetic properties of a nitrogen-based pseudo-oxide and -hydroxide of divalent iron

scientific article

Ferromagnetismus von Übergangsmetallen aus Sicht der chemischen Bindung

First Full Structural Characterization of Chloro Formamidinium Salts

First-Principles Approaches to Metals, Alloys, and Metallic Compounds

First-Principles Chemical Bonding Study of Manganese Carbodiimide, MnNCN, As Compared to Manganese Oxide, MnO.

scientific article published on 21 September 2017

First-Principles Study of Divalent 3d Transition-Metal Carbodiimides

scientific article published on 16 October 2019

Gamma-TaON: a metastable polymorph of tantalum oxynitride

scientific article published in January 2007

Graphitic Nitrogen in Carbon Catalysts Important for the Reduction of Nitrite Revealed by 15N NMR Spectroscopy at Natural Abundance

scientific article

Graphitic Nitrogen in Carbon Catalysts Important for the Reduction of Nitrite Revealed by 15N NMR Spectroscopy at Natural Abundance

scientific article published on 4 September 2020

Graphitic nitrogen in carbon catalysts is important for the reduction of nitrite as revealed by naturally abundant 15 N NMR spectroscopy

scientific article published in 2021

HP-MoO2: A High-Pressure Polymorph of Molybdenum Dioxide

scientific article published on 9 February 2017

High-Pressure NiAs-Type Modification of FeN.

scientific article

High-pressure synthesis and characterization of Li2Ca3[N2]3--an uncommon metallic diazenide with [N2]2- ions

scientific article published in November 2013

High-resolution neutron diffraction study of CuNCN: new evidence of structure anomalies at low temperature

scientific article published in December 2013

Hydrogen bonding in the crystal structures of the ionic liquid compounds butyldimethylimidazolium hydrogen sulfate, chloride, and chloroferrate(II,III).

scientific article published in May 2004

Hydrogen-Bonding Networks from First-Principles: Exploring the Guanidine Crystal ⬇️

scientific article published on March 27, 2012

Increased photocurrent of CuWO4 photoanodes by modification with the oxide carbodiimide Sn2O(NCN)

scientific article published on 25 February 2020

Insights into exfoliation possibility of MAX phases to MXenes.

scientific article published on 20 March 2018

Instrumental resolution as a function of scattering angle and wavelength as exemplified for the POWGEN instrument

scientific article

Intermolecular contacts in bromomalonic aldehyde—intuition, experiment, and theory

Itinerant Ferromagnet RhFe3N: Advanced Synthesis and57Fe Mössbauer Analysis

LOBSTER: A tool to extract chemical bonding from plane-wave based DFT

scientific article (publication date: 30 April 2016)

LOBSTER: Local orbital projections, atomic charges, and chemical-bonding analysis from projector-augmented-wave-based density-functional theory

scientific article published on 12 June 2020

Lattice thermal expansion and anisotropic displacements in urea, bromomalonic aldehyde, pentachloropyridine, and naphthalene

scientific article

Lattice thermal expansion and anisotropic displacements in 𝜶-sulfur from diffraction experiments and first-principles theory

scientific article published on December 2016

LiSr2(NCN)I3: the first empty tetrahedral strontium(II) entity coordinated by carbodiimide units but without strontium-strontium bonding

scientific article published on 2 September 2004

Local ordering and magnetism in Ga0.9Fe3.1N

article published in 2011

Lower serum calcium levels are associated with greater calcium hydroxyapatite deposition in native aortic valves of male patients with severe calcific aortic stenosis.

scientific article published in July 2006

Mapping the band structure of GeSbTe phase change alloys around the Fermi level

Melting Behavior of Alkaline-Earth Metal Carbodiimides and Their Thermochemistry from First-Principles

scientific article published on 28 June 2019

Metathetic synthesis of lead cyanamide as a p-type semiconductor

scientific article published on 18 September 2020

Modeling molecular crystals formed by spin-active metal complexes by atom-atom potentials

scientific article published on 23 September 2009

Molybdenum Oxide Nitrides of the Mo2(O,N,□)5 Type: On the Way to Mo2O5.

scientific article

Monoclinic polymorph of poly[[di-μ-aqua-triaquadi-μ-oxalato-barium(II)-copper(II)] monohydrate].

scientific article published on 6 December 2007

Multipole model for the electron group functions method

scientific article published in October 2009

Nanostructured core-shell metal borides-oxides as highly efficient electrocatalysts for photoelectrochemical water oxidation

scientific article published on 22 January 2020

Nature, Strength, and Cooperativity of the Hydrogen-Bonding Network in α-Chitin

scientific article published in February 2016

Nephelauxetic effect revisited

Neutron powder diffraction and theory-aided structure refinement of rubidium and cesium ureate

New insights on the GeSexTe1-x phase diagram from theory and experiment

scientific article published on 27 March 2019

New neutron-guide concepts and simulation results for the POWTEX instrument

On the DFT Ground State of Crystalline Bromine and Iodine

scientific article published on 14 January 2015

On the Mn–C Short-Range Ordering in a High-Strength High-Ductility Steel: Small Angle Neutron Scattering and Ab Initio Investigation

article published in 2018

Orbitale als Ausgangspunkt des Magnetismus: von Atomen über Moleküle zu ferromagnetischen Legierungen

Oxide nitrides: From oxides to solids with mobile nitrogen ions

Oxygen-Storage Materials BaYMn2O5+δ from the Quantum-Chemical Point of View

scientific article published on 11 May 2012

Perovskite-related oxynitrides – Recent developments in synthesis, characterisation and investigations of physical properties

article

Plane-Wave Density Functional Theory Meets Molecular Crystals: Thermal Ellipsoids and Intermolecular Interactions

scientific article

Preparation of gallium oxynitride in the presence of iron through a citrate route

Quantification of aortic valve calcification using multislice spiral computed tomography: comparison with atomic absorption spectroscopy

scientific article

Quantum-Chemical Study of the FeNCN Conversion-Reaction Mechanism in Lithium- and Sodium-Ion Batteries

scientific article published on 22 January 2020

Quaternary Core-Shell Oxynitride Nanowire Photoanode Containing a Hole-Extraction Gradient for Photoelectrochemical Water Oxidation

scientific article published on 17 May 2019

RbCN3H4: the first structurally characterized salt of a new class of guanidinate compounds

scientific article

RbCN3H4and CsCN3H4: A Neutron Powder and Single-Crystal X-ray Diffraction Study

Relative stability of diamond and graphite as seen through bonds and hybridizations

scientific article published on 20 May 2019

Replik

Revealing the Nature of Chemical Bonding in an ALn2Ag3Te5-Type Alkaline-Metal (A) Lanthanide (Ln) Silver Telluride

Revisiting the Si-Te System: SiTe2 Finally Found by Means of Experimental and Quantum-Chemical Techniques

scientific article

Semi-transparent quaternary oxynitride photoanodes on GaN underlayers

scientific article published on 06 October 2020

Sensibilization of p -NiO with ZnSe/CdS and CdS/ZnSe quantum dots for photoelectrochemical water reduction

scientific article published in 2021

Significant Lanthanoid Substitution Effect on the Redox Reactivity of the Oxygen-Storage Material BaYMn2O5+δ

article published in 2016

Silver delafossite nitride, AgTaN2?

Single-Crystal Neutron Diffraction Study on Guanidine, CN3H5

article published in 2013

Solid-state structure of free base guanidine achieved at last

scientific article

Solvothermal Synthesis, Crystal Growth, and Structure Determination of Sodium and Potassium Guanidinate ⬇️

scientific article published on June 19, 2012

Stability of Pristine and Defective SnTe Surfaces from First Principles ⬇️

scientific article published on July 18, 2013

Structural Properties of NdTiO2N and Its Application as Photoanode

scientific article published on 7 October 2020

Structural Properties of NdTiO2N and Its Application as Photoanode

scientific article

Structural Properties of NdTiO<sub>2+<i>x</i></sub>N<sub>1-<i>x</i></sub> and Its Application as Photoanode

scientific article published on 29 December 2020

Structural evolution of CrN nanocube electrocatalysts during nitrogen reduction reaction

scientific article published on 16 September 2020

Structure, Chemical Bonding, Magnetic Susceptibility, and155Gd Mössbauer Spectroscopy of the Antiferromagnets GdAgGe, GdAuGe, GdAu0.44(1)In1.56(1), and GdAuIn

scientific article published in December 1998

Structure, Chemical Bonding, and Properties of ZrIn2, IrIn2, and Ti3Rh2In3

Syntheses and Characterization of Diammine-Nickel/Cobalt(II)-Bisdicyanamide M(NH3)2[N(CN)2]2 with M = Ni and Co

scientific article published on 04 June 2019

Syntheses and Characterization of Two Dicyanamide Compounds Containing Monovalent Cations: Hg2[N(CN)2]2 and Tl[N(CN)2]

Synthesis and Characterization of the New Dicyanamide LiCs2[N(CN)2]3

Synthesis and Structural Characterisation of a Novel Chiral ansa-Cobaltocenium Hexafluorophosphate

Synthesis and crystal structure of sodium borosilicide, Na8B74.5Si17.5 ⬇️

scientific article published on September 30, 2010

Synthesis and crystal structure of δ-TaON, a metastable polymorph of tantalum oxide nitride

scientific article published on 13 October 2014

Synthesis, Crystal Structure, Chemical Bonding, and Physical Properties of the Ternary Na/Mg Stannide Na2MgSn ⬇️

scientific article published on March 27, 2012

Synthesis, Crystal Structure, Magnetic Properties, and Stability of the Manganese-Rich "Mn3AlC" κ Phase

scientific article published on 17 January 2017

Synthesis, Crystal Structure, Polymorphism, and Magnetism of Eu(CN3H4)2 and First Evidence of EuC(NH)3

article

Synthesis, Crystal Structure, and Chemical-Bonding Analysis of BaZn(NCN)2

Synthesis, Structure Determination and Electronic Structure of Magnesium Nitride Chloride, Mg2NCl

scholarly article by Yanqing Li et al published 11 December 2014 in Journal of inorganic and general chemistry

Synthesis, Structure, and Decay of In4Br7

scholarly article by Richard Dronskowski published 2 June 1995 in Angewandte Chemie International Edition

Synthesis, Structure, and Properties of SrC(NH)3, a Nitrogen-Based Carbonate Analogue with the Trinacria Motif

scientific article published on 26 August 2015

Synthesis, characterization, and quantum-chemical studies of Ni(CN)2MX (M = Rb, Cs; X = Cl, Br).

scientific article

Synthesis, crystal structure, and properties of MnNCN, the first carbodiimide of a magnetic transition metal

scientific article published in May 2005

Systematic study on the electronic structure and mechanical properties of X2BC (X = Mo, Ti, V, Zr, Nb, Hf, Ta and W).

scientific article

Systematic study on the pressure dependence ofM2AlCphases(M=Ti,V,Cr,Zr,Nb,Mo,Hf,Ta,W)

scholarly article in Physical Review B, vol. 76 no. 22, December 2007

Tailoring the Surface Properties of Bi2O2NCN by in Situ Activation for Augmented Photoelectrochemical Water Oxidation on WO3 and CuWO4 Heterojunction Photoanodes

scientific article published on 04 September 2020

Tetrel Bonds in Infinite Molecular Chains by Electronic Structure Theory and Their Role for Crystal Stabilization

scientific article published on 20 January 2017

The Crystal Orbital Hamilton Population (COHP) Method as a Tool to Visualize and Analyze Chemical Bonding in Intermetallic Compounds

The Crystal Structure of Mn2O7

scientific article (publication date: February 1987)

The Orbital Origins of Magnetism: From Atoms to Molecules to Ferromagnetic Alloys

scientific article

The Role of κ-Carbides as Hydrogen Traps in High-Mn Steels

The Ternary Nitrides GaFe3N and AlFe3N: Improved Synthesis and Magnetic Properties

The amount of calcium-deficient hexagonal hydroxyapatite in aortic valves is influenced by gender and associated with genetic polymorphisms in patients with severe calcific aortic stenosis

scientific article published in March 2004

The magnetic structure of Co(NCNH)2 as determined by (spin-polarized) neutron diffraction

The many flavours of halogen bonds - message from experimental electron density and Raman spectroscopy

scientific article published on 22 August 2019

Theoretical calculations on the structures, electronic and magnetic properties of binary 3d transition metal nitrides

Thermodynamic Properties of Molecular Crystals Calculated within the Quasi-Harmonic Approximation

scientific article published on 9 March 2016

Thermodynamic properties of cementite ()

Tin(ii) oxide carbodiimide and its relationship to SnO

Transition-Metal Carbodiimides as Molecular Negative Electrode Materials for Lithium- and Sodium-Ion Batteries with Excellent Cycling Properties

scientific article

Tris(oxamide dioxime-κN,N')nickel(II) sulfate penta-hydrate

scientific article published on 18 October 2008

Tunable Crystal-to-Crystal Phase Transition in a Cadmium Halide Chain Polymer

Unexpected Ge-Ge Contacts in the Two-Dimensional Ge4 Se3 Te Phase and Analysis of Their Chemical Cause with the Density of Energy (DOE) Function

scientific article published on 14 February 2017

Unique Bond Breaking in Crystalline Phase Change Materials and the Quest for Metavalent Bonding

scientific article published on 23 March 2018

Vibrational properties and bonding nature of Sb2Se3 and their implications for chalcogenide materials

scientific article published on 29 June 2015

[Co(I)(CN)2(CO)3]-, a new discovery from an 80-year-old reaction

scientific article published in August 2013

[CrBr2(NH3)4][CrBr4(NH3)2], a new chromium(III) complex

scientific article published on 22 July 2009

d-d Spectra of transition-metal carbodiimides and hydrocyanamides as derived from many-particle effective Hamiltonian calculations.

scientific article published on 7 April 2011

Übergangsmetallcarbodiimide als molekulare negative Elektroden- materialien für Li- und Na-Ionenbatterien mit hervorragendem Zyklisierungsverhalten

β-CuN3: The Overlooked Ground-State Polymorph of Copper Azide with Heterographene-Like Layers

scientific article published on 17 December 2014

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