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ORCIDCarmen Herrmann
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2020 – today
- 2023
[j12]Ursula Rastetter, Axel Jacobi von Wangelin
, Carmen Herrmann:
Redox-active ligands as a challenge for electronic structure methods. J. Comput. Chem. 44(3): 468-479 (2023)
2010 – 2019
- 2019
- [j11]Bodo Alexander Voigt, Torben Steenbock, Carmen Herrmann:
Structural diradical character. J. Comput. Chem. 40(7): 854-865 (2019) - 2018
- [j10]Torben Steenbock, Carmen Herrmann:
Toward an automated analysis of exchange pathways in spin-coupled systems. J. Comput. Chem. 39(2): 81-92 (2018) - [j9]Suranjan Shil, Carmen Herrmann:
Performance of range-separated hybrid exchange-correlation functionals for the calculation of magnetic exchange coupling constants of organic diradicals. J. Comput. Chem. 39(13): 780-787 (2018) - 2017
- [j8]Lynn Groß, Marc Philipp Bahlke, Torben Steenbock, Christian Klinke, Carmen Herrmann:
Modeling adsorbate-induced property changes of carbon nanotubes. J. Comput. Chem. 38(12): 861-868 (2017) - 2016
- [j7]Lynn Groß, Carmen Herrmann:
Local electric dipole moments: A generalized approach. J. Comput. Chem. 37(25): 2260-2265 (2016) - [j6]Lynn Groß, Carmen Herrmann:
GenLocDip: A Generalized Program to Calculate and Visualize Local Electric Dipole Moments. J. Comput. Chem. 37(25): 2324-2334 (2016) - 2015
- [j5]Jonny Proppe, Carmen Herrmann:
Communication through molecular bridges: Different bridge orbital trends result in common property trends. J. Comput. Chem. 36(4): 201-209 (2015) - [j4]Maike Bergeler, Carmen Herrmann, Markus Reiher:
Mode-tracking based stationary-point optimization. J. Comput. Chem. 36(19): 1429-1438 (2015) - 2012
- [j3]Thomas Weymuth, Moritz P. Haag, Karin Kiewisch, Sandra Luber, Stephan Schenk, Christoph R. Jacob, Carmen Herrmann, Johannes Neugebauer, Markus Reiher:
MOVIPAC: Vibrational spectroscopy with a robust meta-program for massively parallel standard and inverse calculations. J. Comput. Chem. 33(27): 2186-2198 (2012)
2000 – 2009
- 2008
- [j2]Carmen Herrmann, Johannes Neugebauer, Markus Reiher:
QM/MM vibrational mode tracking. J. Comput. Chem. 29(14): 2460-2470 (2008) - 2006
- [j1]Carmen Herrmann, Lian Yu, Markus Reiher:
Spin states in polynuclear clusters: The [Fe2O2] core of the methane monooxygenase active site. J. Comput. Chem. 27(12): 1223-1239 (2006)
Coauthor Index
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