Publications

Articles that describe TURBOMOLE, and how to cite it in your work.

Citation

How to cite TURBOMOLE

Please quote TURBOMOLE with its version number, and cite the review of the TURBOMOLE project. The manual has the exact wording and BibTeX templates.

TURBOMOLE V8.0 2025, a development of University of Karlsruhe and Forschungszentrum Karlsruhe GmbH, 1989-2007, TURBOMOLE GmbH, since 2007; available from https://www.turbomole.org.

How to quote TURBOMOLE, with BibTeX (opens in a new tab)

Articles about TURBOMOLE

J. Chem. Theory Comput. 19, 6859–6890 (2023)Please citeOpen access TURBOMOLE: Today and Tomorrow Y. J. Franzke, C. Holzer et al. doi.org/10.1021/acs.jctc.3c00347 J. Phys. Chem. A 129, 9062–9083 (2025)Open access Density Functional Theory for Molecular and Periodic Systems in TURBOMOLE: Theory, Implementation, and Applications M. Sharma, Y. J. Franzke, C. Holzer, F. Pauly, M. Sierka doi.org/10.1021/acs.jpca.5c02937 J. Chem. Phys. 159, 184102 (2023)Open access Exact two-component theory becoming an efficient tool for NMR shieldings and shifts with spin–orbit coupling Y. J. Franzke, C. Holzer doi.org/10.1063/5.0171509 J. Chem. Phys. 152, 184107 (2020)Open access TURBOMOLE: Modular program suite for ab initio quantum-chemical and condensed-matter simulations S. G. Balasubramani et al. doi.org/10.1063/5.0004635

Method papers for individual modules are listed in the manual's bibliography (opens in a new tab) and in the release notes.