Carmen Herrmann

According to our database, Carmen Herrmann authored at least 12 papers between 2006 and 2023.

Collaborative distances:

• Dijkstra number of four.
• Erdős number of five.

2023

Redox-active ligands as a challenge for electronic structure methods.

Ursula Rastetter, Axel Jacobi von Wangelin, Carmen Herrmann

J. Comput. Chem., January, 2023

2019

Structural diradical character.

Bodo Alexander Voigt, Torben Steenbock, Carmen Herrmann

J. Comput. Chem., 2019

2018

Toward an automated analysis of exchange pathways in spin-coupled systems.

Torben Steenbock, Carmen Herrmann

J. Comput. Chem., 2018

Performance of range-separated hybrid exchange-correlation functionals for the calculation of magnetic exchange coupling constants of organic diradicals.

Suranjan Shil, Carmen Herrmann

J. Comput. Chem., 2018

2017

Modeling adsorbate-induced property changes of carbon nanotubes.

Lynn Groß, Marc Philipp Bahlke, Torben Steenbock, Christian Klinke, Carmen Herrmann

J. Comput. Chem., 2017

2016

GenLocDip: A Generalized Program to Calculate and Visualize Local Electric Dipole Moments.

Lynn Groß, Carmen Herrmann

J. Comput. Chem., 2016

Local electric dipole moments: A generalized approach.

Lynn Groß, Carmen Herrmann

J. Comput. Chem., 2016

2015

Communication through molecular bridges: Different bridge orbital trends result in common property trends.

Jonny Proppe, Carmen Herrmann

J. Comput. Chem., 2015

Mode-tracking based stationary-point optimization.

Maike Bergeler, Carmen Herrmann, Markus Reiher

J. Comput. Chem., 2015

2012

MOVIPAC: Vibrational spectroscopy with a robust meta-program for massively parallel standard and inverse calculations.

Thomas Weymuth, Moritz P. Haag, Karin Kiewisch, Sandra Luber, Stephan Schenk, Christoph R. Jacob, Carmen Herrmann, Johannes Neugebauer, Markus Reiher

J. Comput. Chem., 2012

2008

QM/MM vibrational mode tracking.

Carmen Herrmann, Johannes Neugebauer, Markus Reiher

J. Comput. Chem., 2008

2006

Spin states in polynuclear clusters: The [Fe2O2] core of the methane monooxygenase active site.

Carmen Herrmann, Lian Yu, Markus Reiher

J. Comput. Chem., 2006