Carmen Herrmann

Publication Activity (10 Years)

Years Active: 2006-2023
Publications (10 Years): 9

Top Topics

Automated Analysis

Structural Constraints

Power Generation

Moment Invariants

Top Venues

J. Comput. Chem.

Publications

Ursula Rastetter, Axel Jacobi von Wangelin, Carmen Herrmann
Redox-active ligands as a challenge for electronic structure methods. J. Comput. Chem. 44 (3) (2023)
Bodo Alexander Voigt, Torben Steenbock, Carmen Herrmann
Structural diradical character. J. Comput. Chem. 40 (7) (2019)
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) (2018)
Torben Steenbock, Carmen Herrmann
Toward an automated analysis of exchange pathways in spin-coupled systems. J. Comput. Chem. 39 (2) (2018)
Lynn Groß, Marc Philipp Bahlke, Torben Steenbock, Christian Klinke, Carmen Herrmann
Modeling adsorbate-induced property changes of carbon nanotubes. J. Comput. Chem. 38 (12) (2017)
Lynn Groß, Carmen Herrmann
GenLocDip: A Generalized Program to Calculate and Visualize Local Electric Dipole Moments. J. Comput. Chem. 37 (25) (2016)
Lynn Groß, Carmen Herrmann
Local electric dipole moments: A generalized approach. J. Comput. Chem. 37 (25) (2016)
Maike Bergeler, Carmen Herrmann, Markus Reiher
Mode-tracking based stationary-point optimization. J. Comput. Chem. 36 (19) (2015)
Jonny Proppe, Carmen Herrmann
Communication through molecular bridges: Different bridge orbital trends result in common property trends. J. Comput. Chem. 36 (4) (2015)
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) (2012)
Carmen Herrmann, Johannes Neugebauer, Markus Reiher
QM/MM vibrational mode tracking. J. Comput. Chem. 29 (14) (2008)
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) (2006)