P
Peter Saalfrank
Researcher at University of Potsdam
Publications - 251
Citations - 7548
Peter Saalfrank is an academic researcher from University of Potsdam. The author has contributed to research in topics: Excited state & Density functional theory. The author has an hindex of 44, co-authored 232 publications receiving 6417 citations. Previous affiliations of Peter Saalfrank include University of Erlangen-Nuremberg & Lawrence Berkeley National Laboratory.
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Aggregation in a high-mobility n-type low-bandgap copolymer with implications on semicrystalline morphology.
Robert Steyrleuthner,Marcel Schubert,Ian A. Howard,Bastian Klaumünzer,Kristian Schilling,Zhihua Chen,Peter Saalfrank,Frédéric Laquai,Antonio Facchetti,Dieter Neher +9 more
TL;DR: It is concluded that film formation is mainly governed by the chain collapse, leading in general to a high aggregate content of ~45% and inhibits the formation of amorphous and disordered P(NDI2OD-T2) films.
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ortho-Fluoroazobenzenes: visible light switches with very long-lived Z isomers
Christopher Knie,Manuel Utecht,Fangli Zhao,Hannes Kulla,Sergey A. Kovalenko,Albert M. Brouwer,Peter Saalfrank,Stefan Hecht,David Bléger +8 more
TL;DR: A comprehensive study of the effect of substitution on the key photochemical properties of ortho-fluoroazobenzenes is reported, and the visible light photoconversions, quantum yields of isomerization, and thermal stabilities have been measured and rationalized by DFT calculations.
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Quantum Chemical Investigation of Thermal Cis-to-Trans Isomerization of Azobenzene Derivatives: Substituent Effects, Solvent Effects, and Comparison to Experimental Data
Jadranka Dokić,Marcel Gothe,Jonas Wirth,Maike V. Peters,Jutta Schwarz,Stefan Hecht,Peter Saalfrank +6 more
TL;DR: Quantum chemical calculations of various azobenzene (AB) derivatives have been carried out with the goal to describe the energetics and kinetics of their thermal cis --> trans isomerization, giving usually reliable activation energies and enthalpies when compared to experimentally determined values.
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The multiconfiguration time-dependent Hartree-Fock method for quantum chemical calculations.
TL;DR: The multiconfiguration time-dependent Hartree-Fock method is applied to electronic structure calculations and it is shown that quantum chemical information can be obtained with this explicitly time- dependent approach.
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Time-dependent configuration-interaction calculations of laser-pulse-driven many-electron dynamics: Controlled dipole switching in lithium cyanide
TL;DR: One focus of the time-dependent calculations is the question of how fast the transition from the ionic ground state to a specific excited state that is embedded in a multitude of other states can be made, without creating an electronic wave packet.