Exploring local currents in molecular junctions GC Solomon, C Herrmann, T Hansen, V Mujica, MA Ratner Nature chemistry 2 (3), 223-228, 2010 | 408 | 2010 |
Organic radicals as spin filters C Herrmann, GC Solomon, MA Ratner Journal of the American Chemical Society 132 (11), 3682-3684, 2010 | 215 | 2010 |
Ghost transmission: How large basis sets can make electron transport calculations worse C Herrmann, GC Solomon, JE Subotnik, V Mujica, MA Ratner The Journal of chemical physics 132 (2), 024103, 2010 | 114 | 2010 |
A Chirality-Based Quantum Leap CD Aiello, JM Abendroth, M Abbas, A Afanasev, S Agarwal, AS Banerjee, ... ACS nano 16 (4), 4989-5035, 2022 | 103 | 2022 |
Comparative analysis of local spin definitions C Herrmann, M Reiher, BA Hess The Journal of chemical physics 122 (3), 034102, 2005 | 102 | 2005 |
Large Magnetoresistance in Single-Radical Molecular Junctions R Hayakawa, MA Karimi, J Wolf, T Huhn, MS Zöllner, C Herrmann, ... Nano Letters 16 (8), 4960-4967, 2016 | 90 | 2016 |
The Chameleonic Nature of Electron Transport through π-Stacked Systems GC Solomon, C Herrmann, J Vura-Weis, MR Wasielewski, MA Ratner Journal of the American Chemical Society 132 (23), 7887-7889, 2010 | 87 | 2010 |
Can Raman Optical Activity Separate Axial from Local Chirality? A Theoretical Study of Helical Deca‐Alanine C Herrmann, K Ruud, M Reiher ChemPhysChem 7 (10), 2189-2196, 2006 | 87 | 2006 |
First-principles approach to vibrational spectroscopy of biomolecules C Herrmann, M Reiher Atomistic Approaches in Modern Biology, 85-132, 2007 | 83 | 2007 |
Trinuclear copper (II) complexes derived from schiff-base ligands based on a 6-amino-6-deoxyglucopyranoside: Structural and magnetic characterization A Roth, J Becher, C Herrmann, H Görls, G Vaughan, M Reiher, D Klemm, ... Inorganic chemistry 45 (25), 10066-10076, 2006 | 80 | 2006 |
Finding a needle in a haystack: direct determination of vibrational signatures in complex systems C Herrmann, J Neugebauer, M Reiher New Journal of Chemistry 31 (6), 818-831, 2007 | 79 | 2007 |
MOVIPAC: Vibrational spectroscopy with a robust meta‐program for massively parallel standard and inverse calculations T Weymuth, MP Haag, K Kiewisch, S Luber, S Schenk, CR Jacob, ... Journal of computational chemistry 33 (27), 2186-2198, 2012 | 77 | 2012 |
Insight into the Origin of Chiral-Induced Spin Selectivity from a Symmetry Analysis of Electronic Transmission MS Zöllner, S Varela, E Medina, V Mujica, C Herrmann Journal of Chemical Theory and Computation 16 (5), 2914-2929, 2020 | 71 | 2020 |
The electronic structure of the Tris (ethylene) complexes [M (C2H4) 3](M= Ni, Pd, and Pt): A combined experimental and theoretical study N Hebben, HJ Himmel, G Eickerling, C Herrmann, M Reiher, V Herz, ... Chemistry-A European Journal 13 (36), 10078-10087, 2007 | 71 | 2007 |
Cobalt-Catalyzed Hydrogenations via Olefin Cobaltate and Hydride Intermediates S Sandl, TM Maier, NP van Leest, S Kröncke, U Chakraborty, ... ACS Catalysis 9 (8), 7596-7606, 2019 | 61 | 2019 |
The first photoexcitation step of ruthenium-based models for artificial photosynthesis highlighted by resonance Raman spectroscopy C Herrmann, J Neugebauer, M Presselt, U Uhlemann, M Schmitt, S Rau, ... The Journal of Physical Chemistry B 111 (21), 6078-6087, 2007 | 61 | 2007 |
Spin states in polynuclear clusters: The [Fe2O2] core of the methane monooxygenase active site C Herrmann, L Yu, M Reiher Journal of computational chemistry 27 (12), 1223-1239, 2006 | 61 | 2006 |
Designing organic spin filters in the coherent tunneling regime C Herrmann, GC Solomon, MA Ratner The Journal of chemical physics 134 (22), 224306, 2011 | 59 | 2011 |
Relevance of the electric-dipole-electric-quadrupole contribution to Raman optical activity spectra S Luber, C Herrmann, M Reiher The Journal of Physical Chemistry B 112 (7), 2218-2232, 2008 | 46 | 2008 |
Spin–Spin interactions in polynuclear transition-metal complexes M Podewitz, C Herrmann, A Malassa, M Westerhausen, M Reiher Chemical Physics Letters 451 (4), 301-308, 2008 | 43 | 2008 |