Research output per year
Research output per year
Description
This repository contains structural data and quantum chemical calculations on binary d-metal oxides. Detailed description can be found from the following publication:
Structural properties and magnetic ground states of 100 binary d-metal oxides studied by hybrid density functional methods, M. S. Kuklin, K. Eklund, J. Linnera, A. Ropponen, N. Tolvanen, A. J. Karttunen, Molecules 2022, 27, 874. DOI: 10.3390/molecules27030874
Structural properties and magnetic ground states of 100 binary d-metal oxides studied by hybrid density functional methods, M. S. Kuklin, K. Eklund, J. Linnera, A. Ropponen, N. Tolvanen, A. J. Karttunen, Molecules 2022, 27, 874. DOI: 10.3390/molecules27030874
| Date made available | 16 Mar 2023 |
|---|---|
| Publisher | GitHub |
| Date of data production | Nov 2021 - Mar 2023 |
Dataset Licences
- CC0-1.0
Research output
- 2 Article
-
Elastic Properties of Binary d-Metal Oxides Studied by Hybrid Density Functional Methods
Eklund, K., Alajoki, J. & Karttunen, A. J., 3 May 2023, In: Crystal Growth and Design. 23, 5, p. 3427–3436Research output: Contribution to journal › Article › Scientific › peer-review
Open AccessFile2 Citations (Scopus)84 Downloads (Pure) -
Structural Properties and Magnetic Ground States of 100 Binary d-Metal Oxides Studied by Hybrid Density Functional Methods
Kuklin, M. S., Eklund, K., Linnera, J., Ropponen, A., Tolvanen, N. & Karttunen, A. J., 1 Feb 2022, In: Molecules. 27, 3, 26 p., 874.Research output: Contribution to journal › Article › Scientific › peer-review
Open AccessFile18 Citations (Scopus)217 Downloads (Pure)
Projects
- 1 Finished
-
ATOM-THERMOX: Atomistic Thermal Engineering of Metal Oxides (ATOM-THERMOX)
Karttunen, A. (Principal investigator), Albrecht, E. (Project Member), Linnera, J. (Project Member), Mattila, N. (Project Member), Conley, K. (Project Member), Hellsten, N. (Project Member), Eklund, K. (Project Member) & Kuklin, M. (Project Member)
01/09/2018 → 31/08/2022
Project: Academy of Finland: Other research funding