Peter Saalfrank
Peter Saalfrank
Professor forTheoretical Chemistry, University of Potsdam, Germany
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Aggregation in a high-mobility n-type low-bandgap copolymer with implications on semicrystalline morphology
R Steyrleuthner, M Schubert, I Howard, B Klaumünzer, K Schilling, ...
Journal of the American Chemical Society 134 (44), 18303-18317, 2012
The multiconfiguration time-dependent Hartree–Fock method for quantum chemical calculations
M Nest, T Klamroth, P Saalfrank
The Journal of chemical physics 122 (12), 124102, 2005
Theory of photoinduced surface reactions of admolecules
H Guo, P Saalfrank, T Seideman
Progress in surface science 62 (7-8), 239-303, 1999
Quantum chemical investigation of thermal cis-to-trans isomerization of azobenzene derivatives: substituent effects, solvent effects, and comparison to experimental data
J Dokic, M Gothe, J Wirth, MV Peters, J Schwarz, S Hecht, P Saalfrank
The Journal of Physical Chemistry A 113 (24), 6763-6773, 2009
ortho‐Fluoroazobenzenes: Visible Light Switches with Very Long‐Lived Z Isomers
C Knie, M Utecht, F Zhao, H Kulla, S Kovalenko, AM Brouwer, P Saalfrank, ...
Chemistry–A European Journal 20 (50), 16492-16501, 2014
Quantum chemical calculation of excited states of flavin-related molecules
C Neiss, P Saalfrank, M Parac, S Grimme
The Journal of Physical Chemistry A 107 (1), 140-147, 2003
Quantum dynamics of bond breaking in a dissipative environment: Indirect and direct photodesorption of neutrals from metals
P Saalfrank, R Kosloff
The Journal of chemical physics 105 (6), 2441-2455, 1996
Quantum dynamical approach to ultrafast molecular desorption from surfaces
P Saalfrank
Chemical reviews 106 (10), 4116-4159, 2006
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), 074105, 2005
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
Stochastic wave packet vs. direct density matrix solution of Liouville-von Neumann equations for photodesorption problems
P Saalfrank
Chemical physics 211 (1-3), 265-276, 1996
Density matrix description of laser-induced hot electron mediated photodesorption of NO from Pt (111)
P Saalfrank, R Baer, R Kosloff
Chemical physics letters 230 (4-5), 463-472, 1994
Adsorption and photocatalytic splitting of water on graphitic carbon nitride: a combined first principles and semiempirical study
J Wirth, R Neumann, M Antonietti, P Saalfrank
Physical Chemistry Chemical Physics 16 (30), 15917-15926, 2014
Surface oscillator models for dissociative sticking of molecular hydrogen at non-rigid surfaces
M Dohle, P Saalfrank
Surface science 373 (1), 95-108, 1997
Faber and Newton polynomial integrators for open-system density matrix propagation
W Huisinga, L Pesce, R Kosloff, P Saalfrank
The Journal of chemical physics 110 (12), 5538-5547, 1999
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
Femtosecond stimulated Raman spectroscopy of flavin after optical excitation
A Weigel, A Dobryakov, B Klaumunzer, M Sajadi, P Saalfrank, ...
The journal of physical chemistry B 115 (13), 3656-3680, 2011
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), 097401, 2011
Molecular response properties from explicitly time-dependent configuration interaction methods
P Krause, T Klamroth, P Saalfrank
The Journal of chemical physics 127 (3), 034107, 2007
Luminescence detection of open‐shell transition‐metal ions by photoinduced electron transfer controlled by internal charge transfer of a receptor
T Schwarze, H Müller, C Dosche, T Klamroth, W Mickler, A Kelling, ...
Angewandte Chemie International Edition 46 (10), 1671-1674, 2007
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