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Journal of Chemical Theory and Computation|September 4, 2020
Toward a First-Principles Evaluation of Transport Mechanisms in Molecular WiresSusanne Kröncke, Carmen HerrmannChemphyschem : a European Journal of Chemical Physics and Physical Chemistry|October 4, 2014
Controlling molecular conductance: switching off π sites through protonationHendrik Schlicke, Carmen HerrmannJournal of Computational Chemistry|June 16, 2015
Mode-tracking based stationary-point optimizationMaike Bergeler, Carmen Herrmann, Markus ReiherThe Journal of Physical Chemistry Letters|January 13, 2023
Chiral-Induced Spin Selectivity and Non-equilibrium Spin Accumulation in Molecules and Interfaces: A First-Principles StudySumit Naskar, Vladimiro Mujica, Carmen HerrmannJournal of Computational Chemistry|May 13, 2008
QM/MM vibrational mode trackingCarmen Herrmann, Johannes Neugebauer, Markus ReiherThe Journal of Physical Chemistry. B|January 29, 2008
Relevance of the electric-dipole--electric-quadrupole contribution to Raman optical activity spectraSandra Luber, Carmen Herrmann, Markus ReiherChemphyschem : a European Journal of Chemical Physics and Physical Chemistry|August 31, 2006
Can Raman optical activity separate axial from local chirality? A theoretical study of helical deca-alanineCarmen Herrmann, Kenneth Ruud, Markus ReiherChemistryopen|August 7, 2015
Quantum Chemical Calculations and Experimental Validation of the Photoclick Reaction for Fluorescent Labeling of the 5' cap of Eukaryotic mRNAsDaniela Stummer, Carmen Herrmann, Andrea RentmeisterJournal of Computational Chemistry|June 10, 2006
Spin states in polynuclear clusters: the [Fe2O2] core of the methane monooxygenase active siteCarmen Herrmann, Lian Yu, Markus ReiherJournal of Computational Chemistry|December 29, 2018
Structural diradical characterBodo Alexander Voigt, Torben Steenbock, Carmen HerrmannPageof 7