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Ertural, Christina
51
results:
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Online (51)
Mediatypes
Articles (Online) (14)
OpenAccess-fulltext (36)
Thesis (Online) (1)
Languages
german (2)
english (39)
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1
LobsterPy: A package to automatically analyze LOBSTERruns:
Naik, Aakash Ashok
;
Ueltzen, Katharina
;
Ertural, Christina
..
Journal of Open Source Software. 9 (2024) 94 - p. 6286 , 2024
Link:
https://doi.org/10.21105..
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2
A Quantum-Chemical Bonding Database for Solid-State Materia..:
Naik, Aakash Ashok
;
Ertural, Christina
;
Dhamrait, Nidal
..
Scientific Data. 10 (2023) 1 - p. , 2023
Link:
https://doi.org/10.1038/..
?
3
Über die elektronische Struktur funktioneller Festkörperm..
Aachen, RWTH Aachen University, 2022
Ertural, Christina
, 2022
Link:
https://nbn-resolving.de..
?
4
Orbitale als Ausgangspunkt der Chemischen Bindung in Ge−Sb−..:
Hempelmann, Jan
;
Müller, Peter C.
;
Ertural, Christina
.
Angewandte Chemie. 134 (2022) 17 - p. , 2022
Link:
https://doi.org/10.1002/..
?
5
Innenrücktitelbild: Orbitale als Ausgangspunkt der Chemisch..:
Hempelmann, Jan
;
Müller, Peter C.
;
Ertural, Christina
.
Angewandte Chemie. 134 (2022) 17 - p. , 2022
Link:
https://doi.org/10.1002/..
?
6
First-Principles Plane-Wave-Based Exploration of Cathode an..:
Ertural, Christina
;
Stoffel, Ralf P.
;
Müller, Peter C.
..
Chemistry of Materials. 34 (2022) 2 - p. 652-668 , 2022
Link:
https://doi.org/10.1021/..
?
7
Inside Back Cover: The Orbital Origins of Chemical Bonding ..:
Hempelmann, Jan
;
Müller, Peter C.
;
Ertural, Christina
.
Angewandte Chemie International Edition. 61 (2022) 17 - p. , 2022
Link:
https://doi.org/10.1002/..
?
8
Synthetic Engineering in Na2MSn2(NCN)6 (M = Mn, Fe, Co, and..:
Corkett, Alex J.
;
Chen, Zheng
;
Ertural, Christina
..
Inorganic Chemistry. 61 (2022) 45 - p. 18221-18228 , 2022
Link:
https://doi.org/10.1021/..
?
9
The Orbital Origins of Chemical Bonding in Ge−Sb−Te Phase‐C..:
Hempelmann, Jan
;
Müller, Peter C.
;
Ertural, Christina
.
Angewandte Chemie International Edition. 61 (2022) 17 - p. , 2022
Link:
https://doi.org/10.1002/..
?
10
Crystal Orbital Bond Index: Covalent Bond Orders in Solids:
Müller, Peter C.
;
Ertural, Christina
;
Hempelmann, Jan
.
The Journal of Physical Chemistry C. 125 (2021) 14 - p. 7959-7970 , 2021
Link:
https://doi.org/10.1021/..
?
11
LOBSTER: Local orbital projections, atomic charges, and che..:
Nelson, Ryky
;
Ertural, Christina
;
George, Janine
...
Journal of Computational Chemistry. 41 (2020) 21 - p. 1931-1940 , 2020
Link:
https://doi.org/10.1002/..
?
12
Time-dependent density-functional theory molecular-dynamics..:
Wang, Xue-Peng
;
Li, Xian-Bin
;
Chen, Nian-Ke
...
npj Computational Materials. 6 (2020) 1 - p. , 2020
Link:
https://doi.org/10.1038/..
?
13
Development of a robust tool to extract Mulliken and Löwdin..:
Ertural, Christina
;
Steinberg, Simon
;
Dronskowski, Richard
RSC Advances. 9 (2019) 51 - p. 29821-29830 , 2019
Link:
https://doi.org/10.1039/..
?
14
Achieving band convergence by tuning the bonding ionicity i..:
Sun, Xin
;
Li, Xin
;
Yang, Jiong
...
Journal of Computational Chemistry. 40 (2019) 18 - p. 1693-1700 , 2019
Link:
https://doi.org/10.1002/..
?
15
Chemical Bonding of Crystalline LnB6(Ln = La–Lu) and Its Re..:
Li, Wan-Lu
;
Ertural, Christina
;
Bogdanovski, Dimitri
..
Inorganic Chemistry. 57 (2018) 20 - p. 12999-13008 , 2018
Link:
https://doi.org/10.1021/..
1-15