| 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 | 684 | 2020 |
| Crystal orbital bond index: covalent bond orders in solids PC Müller, C Ertural, J Hempelmann, R Dronskowski The Journal of Physical Chemistry C 125 (14), 7959-7970, 2021 | 145 | 2021 |
| 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 | 90 | 2019 |
| 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 | 78 | 2019 |
| Chemical Bonding of Crystalline LnB6 (Ln = La–Lu) and Its Relationship with Ln2B8 Gas-Phase Complexes WL Li, C Ertural, D Bogdanovski, J Li, R Dronskowski Inorganic chemistry 57 (20), 12999-13008, 2018 | 63 | 2018 |
| The Orbital Origins of Chemical Bonding in Ge− Sb− Te Phase‐Change Materials J Hempelmann, PC Müller, C Ertural, R Dronskowski Angewandte Chemie International Edition 61 (17), e202115778, 2022 | 33 | 2022 |
| 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 | 20 | 2020 |
| First-principles plane-wave-based exploration of cathode and anode materials for Li-and Na-ion batteries involving complex nitrogen-based anions C Ertural, RP Stoffel, PC Müller, CA Vogt, R Dronskowski Chemistry of Materials 34 (2), 652-668, 2022 | 13 | 2022 |
| A quantum-chemical bonding database for solid-state materials AA Naik, C Ertural, N Dhamrait, P Benner, J George Scientific Data 10 (1), 610, 2023 | 8 | 2023 |
| The Orbital Nature of Electron Holes in BaFeO3 and Implications for Defect Chemistry MF Hoedl, C Ertural, R Merkle, R Dronskowski, J Maier The Journal of Physical Chemistry C 126 (30), 12809-12819, 2022 | 8 | 2022 |
| Synthetic Engineering in Na2MSn2(NCN)6 (M = Mn, Fe, Co, and Ni) Based on Electronic Structure Theory AJ Corkett, Z Chen, C Ertural, A Slabon, R Dronskowski Inorganic Chemistry 61 (45), 18221-18228, 2022 | 5 | 2022 |
| Chemical bonding with plane waves R Nelson, C Ertural, PC Müller, R Dronskowski Elsevier, 2023 | 3 | 2023 |
| Quantum-Chemical Bonding Database (Unprocessed data: Part 1) AA Naik, C Ertural, N Dhamrait, P Benner, J George Zenodo, 2023 | 1 | 2023 |
| A Quantum-Chemical Bonding Database for Solid-State Materials (JSONS: Part 1) AA Naik, C Ertural, N Dhamrait, P Benner, J George Zenodo, 2023 | 1 | 2023 |
| Orbitale als Ausgangspunkt der Chemischen Bindung in Ge− Sb− Te‐Phasenwechselmaterialien J Hempelmann, PC Müller, C Ertural, R Dronskowski Angewandte Chemie 134 (17), e202115778, 2022 | 1 | 2022 |
| Über die elektronische Struktur funktioneller Festkörpermaterialien und ihre Beschreibung mittels lokaler Bindungsindikatoren C Ertural, G Raabe, R Dronskowski Fachgruppe Chemie, 2022 | 1 | 2022 |
| LobsterPy: A package to automatically analyze LOBSTER runs AA Naik, K Ueltzen, C Ertural, AJ Jackson, J George Journal of Open Source Software 9 (94), 6286, 2024 | | 2024 |
| A Quantum-Chemical Bonding Database for Solid-State Materials A Ashok Naik, C Ertural, N Dhamrait, P Benner, J George arXiv e-prints, arXiv: 2304.02726, 2023 | | 2023 |
| Automation of machine learning driven interatomic potential generation for predicting vibrational properties C Ertural | | 2023 |
| Quantum chemical bonding analysis of functional materials using LOBSTER and automated workflows C Ertural | | 2023 |
Richard DronskowskiDistinguished Professor, Chair of Solid-State and Quantum Chemistry, RWTH Aachen University在 HAL9000.ac.rwth-aachen.de 的电子邮件经过验证
