List of works - Janine George

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

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

Automation in DFT-based computational materials science

scientific article published in September 2021

ChemEnv: a fast and robust coordination environment identification tool

scientific article published on 21 July 2020

Chemist versus Machine: Traditional Knowledge versus Machine Learning Techniques

scientific article published in February 2021

Combining phonon accuracy with high transferability in Gaussian approximation potential models

scientific article published on 01 July 2020

Considering the Role of Ion Transport in Diffuson‐Dominated Thermal Conductivity

scientific article published on 27 April 2022

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

scientific article published on 18 April 2014

Das Rezept für schmalbandige Leuchtstoffe

scientific article published in June 2020

Die Materialsynthesemaschine

scientific article published in December 2020

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

scientific article published on 03 November 2014

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

Ferroelectricity and multiferroicity in anti-Ruddlesden-Popper structures

scientific article published on 27 April 2021

First Full Structural Characterization of Chloro Formamidinium Salts

High-throughput computational discovery of In2Mn2O7 as a high Curie temperature ferromagnetic semiconductor for spintronics

scientific article published on 11 July 2019

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

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

Neue Materialien vorhersagen: Maschinelles Lernen als Werkzeug

scientific article published in February 2020

On the DFT Ground State of Crystalline Bromine and Iodine

scientific article published on 14 January 2015

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

scientific article published on 11 May 2012

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

scientific article

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

article published in 2016

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

article

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

scientific article published on 26 August 2015

Temperatur mit Licht messen

scientific article published in October 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 Limited Predictive Power of the Pauling Rules

scientific article published on 17 February 2020

The Limited Predictive Power of the Pauling Rules

scientific article published on 20 March 2020

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

scientific article published on 22 August 2019

Vorhersagen aus Hochdurchsatzstudien

scientific article published in July 2020

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

scientific article published on 17 December 2014

List of works by Janine George

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.

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

Automation in DFT-based computational materials science

ChemEnv: a fast and robust coordination environment identification tool

Chemist versus Machine: Traditional Knowledge versus Machine Learning Techniques

Combining phonon accuracy with high transferability in Gaussian approximation potential models

Considering the Role of Ion Transport in Diffuson‐Dominated Thermal Conductivity

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

Das Rezept für schmalbandige Leuchtstoffe

Die Materialsynthesemaschine

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

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

Ferroelectricity and multiferroicity in anti-Ruddlesden-Popper structures

First Full Structural Characterization of Chloro Formamidinium Salts

High-throughput computational discovery of In2Mn2O7 as a high Curie temperature ferromagnetic semiconductor for spintronics

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

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

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

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

Neue Materialien vorhersagen: Maschinelles Lernen als Werkzeug

On the DFT Ground State of Crystalline Bromine and Iodine

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

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

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

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

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

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

Temperatur mit Licht messen

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

The Limited Predictive Power of the Pauling Rules

The Limited Predictive Power of the Pauling Rules

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

Vorhersagen aus Hochdurchsatzstudien

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