Carmen Herrmann

12 papers Journal 12

Year	Rank	Type	Title / Venue / Authors
2023	J	`jnl`	Redox-active ligands as a challenge for electronic structure methods. J. Comput. Chem. Ursula Rastetter, Axel Jacobi von Wangelin, Carmen Herrmann
2019	J	`jnl`	Structural diradical character. J. Comput. Chem. Bodo Alexander Voigt, Torben Steenbock, Carmen Herrmann
2018	J	`jnl`	Performance of range-separated hybrid exchange-correlation functionals for the calculation of magnetic exchange coupling constants of organic diradicals. J. Comput. Chem. Suranjan Shil, Carmen Herrmann
2018	J	`jnl`	Toward an automated analysis of exchange pathways in spin-coupled systems. J. Comput. Chem. Torben Steenbock, Carmen Herrmann
2017	J	`jnl`	Modeling adsorbate-induced property changes of carbon nanotubes. J. Comput. Chem. Lynn Groß, Marc Philipp Bahlke, Torben Steenbock, Christian Klinke, Carmen Herrmann
2016	J	`jnl`	GenLocDip: A Generalized Program to Calculate and Visualize Local Electric Dipole Moments. J. Comput. Chem. Lynn Groß, Carmen Herrmann
2016	J	`jnl`	Local electric dipole moments: A generalized approach. J. Comput. Chem. Lynn Groß, Carmen Herrmann
2015	J	`jnl`	Communication through molecular bridges: Different bridge orbital trends result in common property trends. J. Comput. Chem. Jonny Proppe, Carmen Herrmann
2015	J	`jnl`	Mode-tracking based stationary-point optimization. J. Comput. Chem. Maike Bergeler, Carmen Herrmann, Markus Reiher
2012	J	`jnl`	MOVIPAC: Vibrational spectroscopy with a robust meta-program for massively parallel standard and inverse calculations. J. Comput. Chem. Thomas Weymuth, Moritz P. Haag, Karin Kiewisch, Sandra Luber, Stephan Schenk, Christoph R. Jacob, Carmen Herrmann, Johannes Neugebauer, Markus Reiher
2008	J	`jnl`	QM/MM vibrational mode tracking. J. Comput. Chem. Carmen Herrmann, Johannes Neugebauer, Markus Reiher
2006	J	`jnl`	Spin states in polynuclear clusters: The [Fe2O2] core of the methane monooxygenase active site. J. Comput. Chem. Carmen Herrmann, Lian Yu, Markus Reiher