Chair of Theoretical Chemistry

Organisational unit: Chair

Organisation profile

Former Chair holder: Prof. Dr. rer. nat. habil. Gotthard Seifert

Former unit

Active until. 31 Mar 2018.

Contact

Parent units

Physical Chemistry and Electrochemistry

Electronic Lieb lattice signatures embedded in two-dimensional polymers with a square lattice

Zhang, Y., Zhao, S., Položij, M. & Heine, T., 12 Mar 2024, In: Chemical science. 15, 15, p. 5757-5763 7 p.

Research output: Contribution to journal › Research article › Contributed › peer-review

Tuning the Planarity of an Aromatic Thianthrene-Based Molecule on Au(111)

Au-Yeung, K. H., Sarkar, S., Haldar, S., Das, P., Kühne, T., Ryndyk, D. A., Bhauriyal, P., & 5 othersKaskel, S., Heine, T., Cuniberti, G., Schneemann, A. & Moresco, F., 1 Feb 2024, In: Journal of Physical Chemistry C. 128, 4, p. 1855-1861 7 p.

Research output: Contribution to journal › Research article › Contributed › peer-review

Giant Flexoelectricity in Bent Semiconductor Thinfilm

Wang, Y. X., Li, J. G., Seifert, G., Chang, K. & Zhang, D. B., 10 Jan 2024, In: Nano letters. 24, 1, p. 411-416 6 p.

Research output: Contribution to journal › Research article › Contributed › peer-review

Programmable repulsive potential for tight-binding from Chen-Möbius inversion theorem

Li, J. G., Tang, J. K., Song, H. Q., Seifert, G. & Zhang, D. B., Jan 2024, In: Science China: Physics, Mechanics and Astronomy. 67, 1, 217011.

Research output: Contribution to journal › Research article › Contributed › peer-review

Chemistry of the Interaction and Retention of Tc^VII and Tc^IV Species at the Fe₃O₄(001) Surface

Bianchetti, E., Oliveira, A. F., Scheinost, A. C., Di Valentin, C. & Seifert, G., 27 Apr 2023, In: Journal of Physical Chemistry C. 127, 16, p. 7674-7682 9 p.

Research output: Contribution to journal › Research article › Contributed › peer-review

View all research output (47)

Journal of Computer-Aided Materials Design

ISSNs: 0928-1045

Additional searchable ISSN (electronic): 1573-4900

Springer Science + Business Media, Dordrecht, Netherlands

Journal

Journal of the Brazilian Chemical Society : JBCS / Sociedade Brasileira de Química

ISSNs: 0103-5053

Additional searchable ISSN (electronic): 1678-4790

Sociedade Brasileira de Química, Brazil

Scopus rating (2023): CiteScore 2.9 SJR 0.264 SNIP 0.433

Indexed in DOAJ

Journal

Angewandte Chemie : a journal of the Gesellschaft Deutscher Chemiker ; International edition

ISSNs: 1433-7851, 0570-0833

Additional searchable ISSN (electronic): 1521-3773

Wiley-VCH, Weinheim [u. a.], Germany

Scopus rating (2023): CiteScore 26.6 SJR 5.3 SNIP 2.367

Journal

Computational and Theoretical Chemistry

ISSNs: 2210-271X, 0166-1280

Additional searchable ISSN (electronic): 2210-2728

Elsevier, New York [u. a.], United States of America

Scopus rating (2023): CiteScore 4.2 SJR 0.405 SNIP 0.607

Journal

European physical journal special topics : ST

ISSNs: 1951-6355, 1155-4339

Additional searchable ISSN (electronic): 1951-6401, 1764-7177

Springer, Berlin [u. a.], Germany

Scopus rating (2023): CiteScore 5.1 SJR 0.455 SNIP 0.745

Journal

View all journals (77)