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Ryky Nelson
Ryky Nelson
Institute of Inorganic Chemistry at RWTH Aachen University
Adresse e-mail validée de ac.rwth-aachen.de
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LOBSTER: Local orbital projections, atomic charges, and chemical‐bonding analysis from projector‐augmented‐wave‐based density‐functional theory
R Nelson, C Ertural, J George, VL Deringer, G Hautier, R Dronskowski
Journal of Computational Chemistry 41 (21), 1931-1940, 2020
5942020
Achieving band convergence by tuning the bonding ionicity in n‐type Mg3Sb2
X Sun, X Li, J Yang, J Xi, R Nelson, C Ertural, R Dronskowski, W Liu, ...
Journal of computational chemistry 40 (18), 1693-1700, 2019
762019
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
672020
Conduction band control of oxyhalides with a triple-fluorite layer for visible light photocatalysis
A Nakada, D Kato, R Nelson, H Takahira, M Yabuuchi, M Higashi, ...
Journal of the American Chemical Society 143 (6), 2491-2499, 2021
542021
Impact of iron-site defects on superconductivity in LiFeAs
S Chi, R Aluru, UR Singh, R Liang, WN Hardy, DA Bonn, A Kreisel, ...
Physical Review B 94 (13), 134515, 2016
262016
First-principles chemical bonding study of manganese carbodiimide, MnNCN, as compared to manganese oxide, MnO
R Nelson, PM Konze, R Dronskowski
The Journal of Physical Chemistry A 121 (40), 7778-7786, 2017
252017
Towards a quantitative description of tunneling conductance of superconductors: application to LiFeAs
A Kreisel, R Nelson, T Berlijn, W Ku, R Aluru, S Chi, H Zhou, UR Singh, ...
Physical Review B 94 (22), 224518, 2016
252016
Time-dependent density-functional theory molecular-dynamics study on amorphization of Sc-Sb-Te alloy under optical excitation
XP Wang, XB Li, NK Chen, J Bang, R Nelson, C Ertural, R Dronskowski, ...
npj Computational Materials 6 (1), 31, 2020
202020
Generalized multiband typical medium dynamical cluster approximation: Application to (Ga, Mn) N
Y Zhang, R Nelson, E Siddiqui, KM Tam, U Yu, T Berlijn, W Ku, ...
Physical Review B 94 (22), 224208, 2016
182016
What is the Valence of Mn in ?
R Nelson, T Berlijn, J Moreno, M Jarrell, W Ku
Physical Review Letters 115 (19), 197203, 2015
172015
Automated bonding analysis with crystal orbital hamilton populations
J George, G Petretto, A Naik, M Esters, AJ Jackson, R Nelson, ...
ChemPlusChem 87 (11), e202200123, 2022
162022
Bi12O17Cl2 with a Sextuple BiO Layer Composed of Rock‐Salt and Fluorite Units and its Structural Conversion through Fluorination to Enhance Photocatalytic …
D Kato, O Tomita, R Nelson, MA Kirsanova, R Dronskowski, H Suzuki, ...
Advanced Functional Materials 32 (41), 2204112, 2022
162022
Cationic Pb2 Dumbbells Stabilized in the Highly Covalent Lead Nitridosilicate Pb2Si5N8
P Bielec, R Nelson, RP Stoffel, L Eisenburger, D Günther, AK Henß, ...
Angewandte Chemie International Edition 58 (5), 1432-1436, 2019
152019
Origin of localization in Ti-doped Si
Y Zhang, R Nelson, KM Tam, W Ku, U Yu, NS Vidhyadhiraja, H Terletska, ...
Physical Review B 98 (17), 174204, 2018
132018
Synthesis, Crystal Structure, Symmetry Relationships, and Electronic Structure of Bismuth Carbodiimide Bi2(NCN)3 and Its Ammonia Adduct Bi2(NCN)3·NH3
X Qiao, K Chen, AJ Corkett, D Mroz, X Huang, R Wang, R Nelson, ...
Inorganic Chemistry 60 (17), 12664-12670, 2021
42021
Front Cover: Automated Bonding Analysis with Crystal Orbital Hamilton Populations (ChemPlusChem 11/2022)
J George, G Petretto, A Naik, M Esters, AJ Jackson, R Nelson, ...
ChemPlusChem 87 (11), e202200245, 2022
12022
Cu(C2N4H4)2Br2·2H2O: an antiferromagnetic cyanoguanidine coordination compound and its characterization
J Zhang, AJ Corkett, J van Leusen, R Nelson, R Dronskowski
Zeitschrift für Naturforschung B 77 (6), 411-417, 2022
12022
Lead Chalcogenides: Discovering Electron‐Transfer‐Driven Changes in Chemical Bonding in Lead Chalcogenides (PbX, where X= Te, Se, S, O)(Adv. Mater. 49/2020)
S Maier, S Steinberg, Y Cheng, CF Schön, M Schumacher, R Mazzarello, ...
Advanced Materials 32 (49), 2070370, 2020
12020
Kaon photoproduction on the nucleon with constrained parameters
R Nelson, M Terry
Modern Physics Letters A 24 (11n13), 964-967, 2009
12009
Chemical bonding with plane waves
R Nelson, C Ertural, PC Müller, R Dronskowski
Elsevier, 2023
2023
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