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Simon Steinberg
Simon Steinberg
Verified email at ac.rwth-aachen.de
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Year
The crystal orbital Hamilton population (COHP) method as a tool to visualize and analyze chemical bonding in intermetallic compounds
S Steinberg, R Dronskowski
Crystals 8 (5), 225, 2018
2742018
Development of a robust tool to extract Mulliken and Löwdin charges from plane waves and its application to solid-state materials
C Ertural, S Steinberg, R Dronskowski
RSC advances 9 (51), 29821-29830, 2019
1062019
Unexpected Ge–Ge Contacts in the Two‐Dimensional Ge4Se3Te Phase and Analysis of Their Chemical Cause with the Density of Energy (DOE) Function
M Küpers, PM Konze, S Maintz, S Steinberg, AM Mio, O Cojocaru‐Mirédin, ...
Angewandte Chemie International Edition 56 (34), 10204-10208, 2017
842017
Discovering Electron‐Transfer‐Driven Changes in Chemical Bonding in Lead Chalcogenides (PbX, where X= Te, Se, S, O)
S Maier, S Steinberg, Y Cheng, CF Schön, M Schumacher, R Mazzarello, ...
Advanced Materials 32 (49), 2005533, 2020
772020
High‐Pressure NiAs‐Type Modification of FeN
WP Clark, S Steinberg, R Dronskowski, C McCammon, I Kupenko, ...
Angewandte Chemie International Edition 56 (25), 7302-7306, 2017
552017
Long‐Range Forces in Rock‐Salt‐Type Tellurides and How they Mirror the Underlying Chemical Bonding
J Hempelmann, PC Müller, PM Konze, RP Stoffel, S Steinberg, ...
Advanced Materials 33 (37), 2100163, 2021
422021
Revealing tendencies in the electronic structures of polar intermetallic compounds
FC Gladisch, S Steinberg
Crystals 8 (2), 80, 2018
342018
Magnetocaloric Behavior in Ternary Europium Indides EuT5In: Probing the Design Capability of First-Principles-Based Methods on the Multifaceted Magnetic …
I Bigun, S Steinberg, V Smetana, Y Mudryk, Y Kalychak, L Havela, ...
Chemistry of Materials 29 (6), 2599-2614, 2017
342017
Identifying a structural preference in reduced rare-earth metal halides by combining experimental and computational techniques
S Steinberg, J Brgoch, GJ Miller, G Meyer
Inorganic Chemistry 51 (21), 11356-11364, 2012
332012
Cation-poor complex metallic alloys in Ba (Eu)–Au–Al (Ga) systems: identifying the keys that control structural arrangements and atom distributions at the atomic level
V Smetana, S Steinberg, Y Mudryk, V Pecharsky, GJ Miller, AV Mudring
Inorganic Chemistry 54 (21), 10296-10308, 2015
322015
Revisiting the Si–Te System: SiTe2 Finally Found by Means of Experimental and Quantum-Chemical Techniques
KC Göbgen, S Steinberg, R Dronskowski
Inorganic Chemistry 56 (18), 11398-11405, 2017
272017
Search for the Mysterious SiTe An Examination of the Binary Si–Te System Using First-Principles-Based Methods
S Steinberg, RP Stoffel, R Dronskowski
Crystal Growth & Design 16 (11), 6152-6155, 2016
272016
Crystal Structure and Bonding in BaAu5Ga2 and AeAu4+xGa3–x (Ae = Ba and Eu): Hexagonal Diamond-Type Au Frameworks and Remarkable Cation/Anion …
V Smetana, S Steinberg, N Card, AV Mudring, GJ Miller
Inorganic Chemistry 54 (3), 1010-1018, 2015
262015
The Prolific {ZR6}X12R and {ZR6}X10 Structure Types with Isolated Endohedrally Stabilized (Z) Rare‐Earth Metal (R) Cluster Halide (X) Complexes
C Rustige, M Bruehmann, S Steinberg, E Meyer, K Daub, S Zimmermann, ...
Zeitschrift für anorganische und allgemeine Chemie 638 (12‐13), 1922-1931, 2012
252012
Gold in the Layered Structures of R3Au7Sn3: From Relativity to Versatility
A Provino, S Steinberg, V Smetana, U Paramanik, P Manfrinetti, SK Dhar, ...
Crystal Growth & Design 16 (10), 5657-5668, 2016
242016
From the Ternary Eu(Au/In)2 and EuAu4(Au/In)2 with Remarkable Au/In Distributions to a New Structure Type: The Gold-Rich Eu5Au16(Au/In)6 Structure
S Steinberg, N Card, AV Mudring
Inorganic Chemistry 54 (17), 8187-8196, 2015
242015
Electron counting rules and electronic structure in tetrameric transition-metal (T)-centered rare-earth (R) cluster complex halides (X)
S Steinberg, T Bell, G Meyer
Inorganic Chemistry 54 (3), 1026-1037, 2015
242015
Gold-rich R 3 Au 7 Sn 3: establishing the interdependence between electronic features and physical properties
A Provino, S Steinberg, V Smetana, R Kulkarni, SK Dhar, P Manfrinetti, ...
Journal of Materials Chemistry C 3 (32), 8311-8321, 2015
242015
Bonding diversity in rock salt-type tellurides: examining the interdependence between chemical bonding and materials properties
J Simons, J Hempelmann, KS Fries, PC Müller, R Dronskowski, ...
RSC advances 11 (34), 20679-20686, 2021
222021
The Mineral Stutzite: A Zintl-Phase or Polar Intermetallic? A Case Study Using Experimental and Quantum-Chemical Techniques
KC Göbgen, FC Gladisch, S Steinberg
Inorganic Chemistry 57 (1), 412-421, 2018
222018
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