The multiconfiguration time-dependent Hartree–Fock method for quantum chemical calculations M Nest, T Klamroth, P Saalfrank The Journal of chemical physics 122 (12), 2005 | 236 | 2005 |
Time-dependent configuration-interaction calculations of laser-pulse-driven many-electron dynamics: Controlled dipole switching in lithium cyanide P Krause, T Klamroth, P Saalfrank The Journal of chemical physics 123 (7), 2005 | 206 | 2005 |
Molecular response properties from explicitly time-dependent configuration interaction methods P Krause, T Klamroth, P Saalfrank The Journal of chemical physics 127 (3), 2007 | 124 | 2007 |
On the electronic structure of neutral and ionic azobenzenes and their possible role as surface mounted molecular switches G Füchsel, T Klamroth, J Dokić, P Saalfrank The Journal of Physical Chemistry B 110 (33), 16337-16345, 2006 | 122 | 2006 |
Laser-driven electron transfer through metal-insulator-metal contacts: Time-dependent configuration interaction singles calculations for a jellium model T Klamroth Physical Review B 68 (24), 245421, 2003 | 116 | 2003 |
Microscopic model of the optical absorption of carbon nanotubes functionalized with molecular spiropyran photoswitches E Malic, C Weber, M Richter, V Atalla, T Klamroth, P Saalfrank, S Reich, ... Physical Review Letters 106 (9), 2011 | 105 | 2011 |
Explicitly time-dependent coupled cluster singles doubles calculations of laser-driven many-electron dynamics C Huber, T Klamroth The Journal of chemical physics 134 (5), 2011 | 102 | 2011 |
Inducing the rotation of a single phenyl ring with tunneling electrons N Henningsen, KJ Franke, IF Torrente, G Schulze, B Priewisch, ... The Journal of Physical Chemistry C 111 (40), 14843-14848, 2007 | 101 | 2007 |
Luminescence detection of open-shell transition-metal ions by photoinduced electron transfer controlled by internal charge transfer of a receptor T Schwarze, H Muller, C Dosche, T Klamroth, W Mickler, A Kelling, ... ANGEWANDTE CHEMIE-INTERNATIONAL EDITION IN ENGLISH- 46 (10), 1671, 2007 | 96 | 2007 |
Laser-induced electron dynamics including photoionization: A heuristic model within time-dependent configuration interaction theory S Klinkusch, P Saalfrank, T Klamroth The Journal of chemical physics 131 (11), 2009 | 95 | 2009 |
Open-system density-matrix approach to image-potential dynamics of electrons at Cu (100): Energy-and time-resolved two-photon photoemission spectra T Klamroth, P Saalfrank, U Höfer Physical Review B 64 (3), 035420, 2001 | 89 | 2001 |
Dissipative dynamics within the electronic friction approach: the femtosecond laser desorption of H 2/D 2 from Ru (0001) G Füchsel, T Klamroth, S Monturet, P Saalfrank Physical Chemistry Chemical Physics 13 (19), 8659-8670, 2011 | 79 | 2011 |
Time-dependent configuration-interaction calculations of laser-driven dynamics in presence of dissipation JC Tremblay, T Klamroth, P Saalfrank The Journal of chemical physics 129 (8), 2008 | 69 | 2008 |
Atomic-scale chemistry: Desorption of ammonia from Cu (111) induced by tunneling electrons L Bartels, M Wolf, T Klamroth, P Saalfrank, A Kühnle, G Meyer, KH Rieder Chemical physics letters 313 (3-4), 544-552, 1999 | 69 | 1999 |
Electronic structure of the molecular switch tetra-tert-butyl-azobenzene adsorbed on Ag(111) P Tegeder, S Hagen, F Leyssner, MV Peters, S Hecht, T Klamroth, ... Applied Physics A 88, 465-472, 2007 | 67 | 2007 |
Optimal control of ultrafast laser driven many-electron dynamics in a polyatomic molecule: N-methyl-6-quinolone T Klamroth The Journal of chemical physics 124 (14), 2006 | 67 | 2006 |
Electronic structure of a subnanometer wide bottom-up fabricated graphene nanoribbon: End states, band gap, and dispersion C Bronner, F Leyssner, S Stremlau, M Utecht, P Saalfrank, T Klamroth, ... Physical Review B 86 (8), 085444, 2012 | 58 | 2012 |
Photoisomerization ability of molecular switches adsorbed on Au (111): Comparison between azobenzene and stilbene derivatives F Leyssner, S Hagen, L Ovári, J Dokic, P Saalfrank, MV Peters, S Hecht, ... The Journal of Physical Chemistry C 114 (2), 1231-1239, 2010 | 53 | 2010 |
High Na+ and K+-induced fluorescence enhancement of a π-conjugated phenylaza-18-crown-6-triazol-substituted coumarin fluoroionophore S Ast, H Müller, R Flehr, T Klamroth, B Walz, HJ Holdt Chemical communications 47 (16), 4685-4687, 2011 | 49 | 2011 |
Optical absorption and excitonic coupling in azobenzenes forming self-assembled monolayers: a study based on density functional theory M Utecht, T Klamroth, P Saalfrank Physical Chemistry Chemical Physics 13 (48), 21608-21614, 2011 | 41 | 2011 |