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Ertural, Christina
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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/..
 
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3

Über die elektronische Struktur funktioneller Festkörperm.. 

Aachen, RWTH Aachen University, 2022
Ertural, Christina , 2022
Link: https://nbn-resolving.de..
 
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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/..
 
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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/..
 
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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/..
 
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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/..
 
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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/..
 
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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/..
 
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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/..
 
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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/..
 
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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/..
 
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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/..
 
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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/..
 
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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/..
 
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