Chair of Theoretical Chemistry
Organisational unit: Chair
Organisation profile
Chair holder: Prof. Dr. rer. nat. habil. Thomas Heine
Contact
- TUD website: https://tu-dresden.de/mn/chemie/pc/pc1
Related content and researchers (public profile)
- Researchers (public profile)
- Research output
- Journals
- Prizes
- Datasets
Heavy Atom Cluster Chains with Strong Spin-Orbit Coupling and Magnetic Cations in Mn[PtBi6I12]
Herz, M. A., Hübner, J. M., Sichelschmidt, J., Friedrich, R. & Ruck, M., 16 Dec 2024, In: Inorganic chemistry. 63, 50, p. 23867–23876 10 p.Research output: Contribution to journal › Research article › Contributed › peer-review
Proton-selective coating enables fast-kinetics high-mass-loading cathodes for sustainable zinc batteries
Guo, Q., Li, W., Li, X., Zhang, J., Sabaghi, D., Zhang, J. & Zhang, B. & 13 others, Li, D., Du, J., Chu, X., Chung, S., Cho, K., Nguyen, N. N., Liao, Z., Zhang, Z., Zhang, X., Schneider, G. F., Heine, T., Yu, M. & Feng, X., Dec 2024, In: Nature communications. 15, 1, 2139.Research output: Contribution to journal › Research article › Contributed › peer-review
Sr4Os3O12 – A Layered Osmate(V,VI) that is Magnetic Close to Room Temperature
Thakur, G. S., Hübner, J. M., Finzel, K., Doert, T. & Ruck, M., 4 Nov 2024, In: Zeitschrift fur Anorganische und Allgemeine Chemie. 650 (2024), 21, 9 p., e202400109.Research output: Contribution to journal › Research article › Contributed › peer-review
Benzenehexol-Based 2D Conjugated Metal–Organic Frameworks with Kagome Lattice Exhibiting a Metallic State
Wang, Z., St. Petkov, P., Zhang, J., Liang, B., Revuelta, S., Xiao, K. & Tiwari, K. & 11 others, Guo, Q., Li, Z., Zhang, J., Qi, H., Zhou, S., Kaiser, U., Heine, T., Cánovas, E., Parkin, S. S. P., Feng, X. & Dong, R., 15 Oct 2024, In: Advanced functional materials. 34, 42, 2404680.Research output: Contribution to journal › Research article › Contributed › peer-review
Prediction of metal-free Stoner and Mott-Hubbard magnetism in triangulene-based two-dimensional polymers
Yu, H. & Heine, T., 4 Oct 2024, In: Science advances. 10, 40, eadq7954.Research output: Contribution to journal › Research article › Contributed › peer-review
International Journal of Quantum Chemistry
ISSNs: 0020-7608
Additional searchable ISSN (electronic): 1097-461X
Wiley, Hoboken, United States of America
Scopus rating (2023): CiteScore 4.7 SJR 0.393 SNIP 0.639
Journal
Nano Materials Science
ISSNs: 2096-6482
Additional searchable ISSN (electronic): 2589-9651
KeAi Communications Co., Netherlands
Scopus rating (2023): CiteScore 17.8 SJR 1.721 SNIP 1.779
Indexed in DOAJ
Journal
Emission control science and technology
ISSNs: 2199-3629
Additional searchable ISSN (electronic): 2199-3637
Springer International Publishing AG
Scopus rating (2023): CiteScore 3.8 SJR 0.331 SNIP 0.557
Journal
Materials Today Advances
ISSNs: 2590-0498
Additional searchable ISSN (electronic): 2590-0498
Elsevier, Oxford [u.a.], Netherlands
Scopus rating (2023): CiteScore 14.3 SJR 1.826 SNIP 1.58
Indexed in DOAJ
Journal
Acta crystallographica ; Section C, Structural Chemistry
ISSNs: 0302-1742, 0108-2701
Additional searchable ISSN (electronic): 2053-2296, 1600-5759
Wiley, Hoboken, United Kingdom
Scopus rating (2023): CiteScore 1.6 SJR 0.181 SNIP 0.265
Journal
Dataset for "Relaxation effects in transition metal dichalcogenide bilayer heterostructures"
Li, W. (Creator), Brumme, T. (Creator) & Heine, T. (Creator), Zenodo, 16 Apr 2024
DOI: https://doi.org/10.5281/zenodo.10979043, https://zenodo.org/records/10979043
Dataset: Series
Data publication: Magnetic State Control of Non-van der Waals 2D Materials by Hydrogenation
Barnowsky, T. (Creator), Curtarolo, S. (Creator), Krasheninnikov, A. (Creator), Heine, T. (Creator) & Friedrich, R. (Creator), Rodare, 16 Jan 2024
DOI: https://doi.org/10.14278/rodare.2496, https://rodare.hzdr.de/record/2496
Dataset: Series
Triangulene 2D polymers
Yu, H. (Creator) & Heine, T. (Creator), Zenodo, 15 Nov 2023
DOI: https://doi.org/10.5281/zenodo.10127614, https://zenodo.org/records/10127614
Dataset: Series
Hydrogen Transport Between Layers of Transition Metal-Dichalcogenides
Eren, I. (Creator), An, Y. (Creator) & Kuc, A. (Creator), Zenodo, 7 Aug 2023
DOI: https://doi.org/10.5281/zenodo.10066238, https://zenodo.org/records/10066238
Dataset: Series
Data publication: A New Group of Two-Dimensional Non-van der Waals Materials with Ultra Low Exfoliation Energies
Barnowsky, T. (Creator), Krasheninnikov, A. (Creator) & Friedrich, R. (Creator), Rodare, 20 Dec 2022
DOI: https://doi.org/10.14278/rodare.1852, https://rodare.hzdr.de/record/1852
Dataset: Series