| Year |
Citation |
Score |
| 2023 |
Deffner M, Weise MP, Zhang H, Mücke M, Proppe J, Franco I, Herrmann C. Learning Conductance: Gaussian Process Regression for Molecular Electronics. Journal of Chemical Theory and Computation. PMID 36692968 DOI: 10.1021/acs.jctc.2c00648 |
0.738 |
|
| 2022 |
Aiello CD, Abendroth JM, Abbas M, Afanasev A, Agarwal S, Banerjee AS, Beratan DN, Belling JN, Berche B, Botana A, Caram JR, Celardo GL, Cuniberti G, Garcia-Etxarri A, Dianat A, ... ... Herrmann C, et al. A Chirality-Based Quantum Leap. Acs Nano. PMID 35318848 DOI: 10.1021/acsnano.1c01347 |
0.699 |
|
| 2020 |
Zöllner MS, Saghatchi A, Mujica V, Herrmann C. Influence of Electronic Structure Modeling and Junction Structure on First-Principles Chiral Induced Spin Selectivity. Journal of Chemical Theory and Computation. PMID 33167619 DOI: 10.1021/acs.jctc.0c00621 |
0.336 |
|
| 2020 |
Bahlke MP, Mogos N, Proppe J, Herrmann C. Exchange Spin Coupling from Gaussian Process Regression. The Journal of Physical Chemistry. A. PMID 32961058 DOI: 10.1021/acs.jpca.0c05983 |
0.75 |
|
| 2020 |
Kröncke S, Herrmann C. Towards a First-Principles Evaluation of Transport Mechanisms in Molecular Wires. Journal of Chemical Theory and Computation. PMID 32886502 DOI: 10.1021/Acs.Jctc.0C00667 |
0.362 |
|
| 2020 |
Zöllner MS, Varela S, Medina E, Mujica V, Herrmann C. Insight into the Origin of Chiral-Induced Spin Selectivity from a Symmetry Analysis of Electronic Transmission. Journal of Chemical Theory and Computation. PMID 32271568 DOI: 10.1021/Acs.Jctc.9B01078 |
0.431 |
|
| 2019 |
Puhl S, Steenbock T, Herrmann C, Heck J. Controlling Through-Space and Through-Bond Exchange Pathways in Bis-Cobaltocenes for Molecular Spintronics. Angewandte Chemie (International Ed. in English). PMID 31705778 DOI: 10.1002/Anie.201911999 |
0.394 |
|
| 2019 |
Herrmann C. Electronic Communication as a Transferable Property of Molecular Bridges? The Journal of Physical Chemistry. A. PMID 31380640 DOI: 10.1021/Acs.Jpca.9B05618 |
0.417 |
|
| 2019 |
Bahlke MP, Wahl P, Diekhöner L, Herrmann C. Co(CO)n/Cu(001): Towards understanding chemical control of the Kondo effect Journal of Applied Physics. 125: 142910. DOI: 10.1063/1.5079518 |
0.344 |
|
| 2018 |
Alexander Voigt B, Steenbock T, Herrmann C. Structural diradical character. Journal of Computational Chemistry. PMID 30592065 DOI: 10.1002/Jcc.25768 |
0.354 |
|
| 2018 |
Kröncke S, Herrmann C. Designing Long-Range Charge Delocalization from First Principles. Journal of Chemical Theory and Computation. PMID 30481452 DOI: 10.1021/Acs.Jctc.8B00872 |
0.375 |
|
| 2018 |
Bahlke MP, Karolak M, Herrmann C. Interplay between strong correlation and adsorption distances: Co on Cu(001) Physical Review B. 97. DOI: 10.1103/Physrevb.97.035119 |
0.357 |
|
| 2017 |
Shil S, Herrmann C. Performance of range-separated hybrid exchange-correlation functionals for the calculation of magnetic exchange coupling constants of organic diradicals. Journal of Computational Chemistry. PMID 29280154 DOI: 10.1002/Jcc.25153 |
0.331 |
|
| 2017 |
Puhl S, Steenbock T, Harms R, Herrmann C, Heck J. Synthesis, characterization and magnetic properties of head-to-head stacked vanadocenes. Dalton Transactions (Cambridge, England : 2003). PMID 29090702 DOI: 10.1039/C7Dt03101G |
0.375 |
|
| 2017 |
Steenbock T, Herrmann C. Toward an automated analysis of exchange pathways in spin-coupled systems. Journal of Computational Chemistry. PMID 29044625 DOI: 10.1002/Jcc.25081 |
0.365 |
|
| 2017 |
Ramin Moayed MM, Bielewicz T, Zöllner MS, Herrmann C, Klinke C. Towards colloidal spintronics through Rashba spin-orbit interaction in lead sulphide nanosheets. Nature Communications. 8: 15721. PMID 28589933 DOI: 10.1038/Ncomms15721 |
0.41 |
|
| 2017 |
Groß L, Bahlke MP, Steenbock T, Klinke C, Herrmann C. Modeling adsorbate-induced property changes of carbon nanotubes. Journal of Computational Chemistry. PMID 28245063 DOI: 10.1002/Jcc.24760 |
0.3 |
|
| 2016 |
Steenbock T, Shultz DA, Kirk ML, Herrmann C. Influence of Radical Bridges on Electron Spin Coupling. The Journal of Physical Chemistry. A. PMID 27997189 DOI: 10.1021/Acs.Jpca.6B07270 |
0.396 |
|
| 2016 |
Groß L, Herrmann C. Local electric dipole moments: A generalized approach. Journal of Computational Chemistry. PMID 27520590 DOI: 10.1002/Jcc.24440 |
0.371 |
|
| 2016 |
Hayakawa R, Karimi MA, Wolf J, Huhn T, Zöllner MS, Herrmann C, Scheer E. Large Magnetoresistance in Single Radical Molecular Junctions. Nano Letters. PMID 27458666 DOI: 10.1021/Acs.Nanolett.6B01595 |
0.365 |
|
| 2016 |
Groß L, Herrmann C. GenLocDip: A Generalized Program to Calculate and Visualize Local Electric Dipole Moments. Journal of Computational Chemistry. PMID 27416879 DOI: 10.1002/Jcc.24420 |
0.35 |
|
| 2015 |
Shil S, Herrmann C. Increasing Magnetic Coupling through Oxidation of a Ferrocene Bridge. Inorganic Chemistry. 54: 11733-40. PMID 26687379 DOI: 10.1021/Acs.Inorgchem.5B01707 |
0.409 |
|
| 2015 |
Steenbock T, Tasche J, Lichtenstein AI, Herrmann C. A Green's-Function Approach to Exchange Spin Coupling As a New Tool for Quantum Chemistry. Journal of Chemical Theory and Computation. 11: 5651-64. PMID 26579585 DOI: 10.1021/Acs.Jctc.5B00349 |
0.433 |
|
| 2015 |
Bergeler M, Herrmann C, Reiher M. Mode-tracking based stationary-point optimization. Journal of Computational Chemistry. 36: 1429-38. PMID 26073318 DOI: 10.1002/Jcc.23958 |
0.525 |
|
| 2015 |
Steenbock T, Escribano A, Heck J, Herrmann C. Photoswitching Behavior of a Cyclohexene-Bridged versus a Cyclopentene-Bridged Dithienylethene System. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. 16: 1491-501. PMID 25704168 DOI: 10.1002/Cphc.201402842 |
0.308 |
|
| 2015 |
Proppe J, Herrmann C. Communication through molecular bridges: different bridge orbital trends result in common property trends. Journal of Computational Chemistry. 36: 201-9. PMID 25382464 DOI: 10.1002/Jcc.23781 |
0.759 |
|
| 2015 |
Hauptmann N, Groß L, Buchmann K, Scheil K, Schütt C, Otte FL, Herges R, Herrmann C, Berndt R. High-conductance surface-anchoring of a mechanically flexible platform-based porphyrin complex New Journal of Physics. 17. DOI: 10.1088/1367-2630/17/1/013012 |
0.332 |
|
| 2015 |
Steenbock T, Tasche J, Lichtenstein AI, Herrmann C. A Green's-Function Approach to Exchange Spin Coupling As a New Tool for Quantum Chemistry Journal of Chemical Theory and Computation. 11: 5651-5664. DOI: 10.1021/acs.jctc.5b00349 |
0.324 |
|
| 2015 |
Ziemann EA, Mietner JB, Deffner M, Van Steerteghem N, Clays K, Herrmann C, Heck J. Extended Threefold-Symmetric Second-Harmonic-Generation Chromophores Based on 1,3,5-Trisubstituted Benzene Complexes European Journal of Inorganic Chemistry. 2015: n/a-n/a. DOI: 10.1002/Ejic.201500689 |
0.347 |
|
| 2014 |
Jahnke AC, Proppe J, Spulber M, Palivan CG, Herrmann C, Wenger OS. Charge delocalization in an organic mixed valent bithiophene is greater than in a structurally analogous biselenophene. The Journal of Physical Chemistry. A. 118: 11293-303. PMID 25393481 DOI: 10.1021/Jp5082164 |
0.76 |
|
| 2014 |
Schlicke H, Herrmann C. Controlling molecular conductance: switching off π sites through protonation. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. 15: 4011-8. PMID 25278164 DOI: 10.1002/Cphc.201402561 |
0.388 |
|
| 2014 |
Büchert M, Steenbock T, Lukaschek C, Wolff MC, Herrmann C, Heck J. 2,2'-Bipyridine-based dendritic structured compounds for second harmonic generation. Chemistry (Weinheim An Der Bergstrasse, Germany). 20: 14351-61. PMID 25251846 DOI: 10.1002/Chem.201404001 |
0.361 |
|
| 2014 |
Luber S, Leung S, Herrmann C, Du WH, Noodleman L, Batista VS. EXAFS simulation refinement based on broken-symmetry DFT geometries for the Mn(IV)-Fe(III) center of class I RNR from Chlamydia trachomatis. Dalton Transactions (Cambridge, England : 2003). 43: 576-83. PMID 24129440 DOI: 10.1039/C3Dt51563J |
0.656 |
|
| 2014 |
Wolter-Steingrube A, Bugenhagen BEC, Herrmann C, Heck J. Synthesis and Molecular Structures of Monosubstituted Pentamethylcobaltocenium Cations European Journal of Inorganic Chemistry. 2014: 4115-4122. DOI: 10.1002/Ejic.201402443 |
0.334 |
|
| 2013 |
Herrmann C, Elmisz J. Electronic communication through molecular bridges. Chemical Communications (Cambridge, England). 49: 10456-8. PMID 23995380 DOI: 10.1039/C3Cc45125A |
0.382 |
|
| 2013 |
Groß L, Steenbock T, Herrmann C. The angular dependence of spin-state energy splittings in the core Molecular Physics. 111: 1482-1491. DOI: 10.1080/00268976.2013.799297 |
0.381 |
|
| 2012 |
Weymuth T, Haag MP, Kiewisch K, Luber S, Schenk S, Jacob CR, Herrmann C, Neugebauer J, Reiher M. M(O)V(I)P(AC): vibrational spectroscopy with a robust meta-program for massively parallel standard and inverse calculations. Journal of Computational Chemistry. 33: 2186-98. PMID 22718519 DOI: 10.1002/Jcc.23036 |
0.738 |
|
| 2012 |
Solomon GC, Herrmann C, Ratner MA. Molecular electronic junction transport: some pathways and some ideas. Topics in Current Chemistry. 313: 1-38. PMID 21915776 DOI: 10.1007/128_2011_227 |
0.471 |
|
| 2012 |
Solomon GC, Herrmann C, Ratner MA. Molecular electronic junction transport: Some pathways and some ideas Topics in Current Chemistry. 313: 1-38. DOI: 10.1007/128_2011_227 |
0.364 |
|
| 2011 |
Herrmann C, Solomon GC, Ratner MA. Designing organic spin filters in the coherent tunneling regime. The Journal of Chemical Physics. 134: 224306. PMID 21682513 DOI: 10.1063/1.3598519 |
0.511 |
|
| 2011 |
Beuerle F, Herrmann C, Whalley AC, Valente C, Gamburd A, Ratner MA, Stoddart JF. Optical and vibrational properties of toroidal carbon nanotubes. Chemistry (Weinheim An Der Bergstrasse, Germany). 17: 3868-75. PMID 21344517 DOI: 10.1002/Chem.201002758 |
0.483 |
|
| 2011 |
Beuerle F, Herrmann C, Whalley AC, Valente C, Gamburd A, Ratner MA, Stoddart JF. Cover Picture: Optical and Vibrational Properties of Toroidal Carbon Nanotubes (Chem. Eur. J. 14/2011) Chemistry - a European Journal. 17: 3793-3793. DOI: 10.1002/Chem.201190066 |
0.421 |
|
| 2010 |
Solomon GC, Herrmann C, Hansen T, Mujica V, Ratner MA. Exploring local currents in molecular junctions Nature Chemistry. 2: 223-228. PMID 21124481 DOI: 10.1038/Nchem.546 |
0.505 |
|
| 2010 |
Solomon GC, Vura-Weis J, Herrmann C, Wasielewski MR, Ratner MA. Understanding coherent transport through π-stacked systems upon spatial dislocation. The Journal of Physical Chemistry. B. 114: 14735-44. PMID 20553016 DOI: 10.1021/Jp103110H |
0.507 |
|
| 2010 |
Solomon GC, Herrmann C, Vura-Weis J, Wasielewski MR, Ratner MA. The chameleonic nature of electron transport through pi-stacked systems. Journal of the American Chemical Society. 132: 7887-9. PMID 20486660 DOI: 10.1021/Ja102434M |
0.465 |
|
| 2010 |
Herrmann C, Solomon GC, Ratner MA. Organic radicals as spin filters. Journal of the American Chemical Society. 132: 3682-4. PMID 20192192 DOI: 10.1021/Ja910483B |
0.48 |
|
| 2010 |
Herrmann C, Solomon GC, Subotnik JE, Mujica V, Ratner MA. Ghost transmission: How large basis sets can make electron transport calculations worse. The Journal of Chemical Physics. 132: 024103. PMID 20095659 DOI: 10.1063/1.3283062 |
0.518 |
|
| 2010 |
Herrmann C, Solomon GC, Ratner MA. Local pathways in coherent electron transport through iron porphyrin complexes: A challenge for first-principles transport calculations Journal of Physical Chemistry C. 114: 20813-20820. DOI: 10.1021/Jp107147X |
0.522 |
|
| 2010 |
Malassa A, Agthe C, Görls H, Podewitz M, Yu L, Herrmann C, Reiher M, Westerhausen M. Synthesis, Structures, and Magnetic Properties ofN-Trialkylsilyl-8-amidoquinoline Complexes of Chromium, Manganese, Iron, and Cobalt as well as of Wheel-Like Hexanuclear Iron(II) and Manganese(II) Bis(8-amidoquinoline) European Journal of Inorganic Chemistry. 2010: 1777-1790. DOI: 10.1002/Ejic.200901158 |
0.491 |
|
| 2009 |
Herrmann C, Podewitz M, Reiher M. Restrained optimization of broken-symmetry determinants International Journal of Quantum Chemistry. 109: 2430-2446. DOI: 10.1002/Qua.21997 |
0.523 |
|
| 2008 |
Herrmann C, Neugebauer J, Reiher M. QM/MM vibrational mode tracking. Journal of Computational Chemistry. 29: 2460-70. PMID 18470972 DOI: 10.1002/Jcc.20988 |
0.671 |
|
| 2008 |
Luber S, Herrmann C, Reiher M. Relevance of the electric-dipole--electric-quadrupole contribution to Raman optical activity spectra. The Journal of Physical Chemistry. B. 112: 2218-32. PMID 18220381 DOI: 10.1021/Jp0756404 |
0.671 |
|
| 2008 |
Podewitz M, Herrmann C, Malassa A, Westerhausen M, Reiher M. Spin–Spin interactions in polynuclear transition-metal complexes Chemical Physics Letters. 451: 301-308. DOI: 10.1016/J.Cplett.2007.12.011 |
0.542 |
|
| 2008 |
Herrmann C, Ruud K, Reiher M. Importance of backbone angles versus amino acid configurations in peptide vibrational Raman optical activity spectra Chemical Physics. 343: 200-209. DOI: 10.1016/J.Chemphys.2007.06.002 |
0.526 |
|
| 2007 |
Hebben N, Himmel HJ, Eickerling G, Herrmann C, Reiher M, Herz V, Presnitz M, Scherer W. The electronic structure of the tris(ethylene) complexes [M(C2H4)3] (M=Ni, Pd, and Pt): a combined experimental and theoretical study. Chemistry (Weinheim An Der Bergstrasse, Germany). 13: 10078-87. PMID 17907124 DOI: 10.1002/Chem.200700885 |
0.514 |
|
| 2007 |
Herrmann C, Neugebauer J, Presselt M, Uhlemann U, Schmitt M, Rau S, Popp J, Reiher M. The first photoexcitation step of ruthenium-based models for artificial photosynthesis highlighted by resonance Raman spectroscopy. The Journal of Physical Chemistry. B. 111: 6078-87. PMID 17489631 DOI: 10.1021/Jp071692H |
0.685 |
|
| 2007 |
Herrmann C, Neugebauer J, Reiher M. Finding a needle in a haystack: direct determination of vibrational signatures in complex systems New Journal of Chemistry. 31: 818. DOI: 10.1039/B618769M |
0.437 |
|
| 2007 |
Herrmann C, Neugebauer J, Reiher M. Finding a Needle in a Haystack: Direct Determination of Vibrational Signatures in Complex Systems Cheminform. 38. DOI: 10.1039/B618769M |
0.547 |
|
| 2006 |
Roth A, Becher J, Herrmann C, Görls H, Vaughan G, Reiher M, Klemm D, Plass W. Trinuclear copper(II) complexes derived from Schiff-base ligands based on a 6-amino-6-deoxyglucopyranoside: structural and magnetic characterization. Inorganic Chemistry. 45: 10066-76. PMID 17140212 DOI: 10.1021/Ic0605064 |
0.523 |
|
| 2006 |
Herrmann C, Ruud K, Reiher M. Can Raman optical activity separate axial from local chirality? A theoretical study of helical deca-alanine. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. 7: 2189-96. PMID 16941557 DOI: 10.1002/Cphc.200600391 |
0.534 |
|
| 2006 |
Herrmann C, Yu L, Reiher M. Spin states in polynuclear clusters: the [Fe2O2] core of the methane monooxygenase active site. Journal of Computational Chemistry. 27: 1223-39. PMID 16764020 DOI: 10.1002/Jcc.20409 |
0.566 |
|
| 2006 |
Herrmann C, Reiher M. Direct targeting of adsorbate vibrations with mode-tracking Surface Science. 600: 1891-1900. DOI: 10.1016/J.Susc.2006.01.054 |
0.497 |
|
| 2005 |
Herrmann C, Neugebauer J, Gladysz JA, Reiher M. Theoretical study on the spin-state energy splittings and local spin in cationic [Re]-Cn-[Re] complexes. Inorganic Chemistry. 44: 6174-82. PMID 16124793 DOI: 10.1021/Ic050240L |
0.66 |
|
| 2005 |
Herrmann C, Reiher M, Hess BA. Comparative analysis of local spin definitions. The Journal of Chemical Physics. 122: 34102. PMID 15740187 DOI: 10.1063/1.1829050 |
0.681 |
|
| Show low-probability matches. |