Sebastian Thallmair
TitleCited byYear
Optimal control theory–closing the gap between theory and experiment
P von den Hoff, S Thallmair, M Kowalewski, R Siemering, ...
Physical Chemistry Chemical Physics 14 (42), 14460-14485, 2012
The Interplay of Nuclear and Electron Wavepacket Motion in the Control of Molecular Processes: A Theoretical Perspective
S Thallmair, R Siemering, P Kölle, M Kling, M Wollenhaupt, T Baumert, ...
Molecular Quantum Dynamics, 213-248, 2014
Complete and incomplete spin transitions in 1D chain iron (II) compounds
TM Pfaffeneder, S Thallmair, W Bauer, B Weber
New Journal of Chemistry 35 (3), 691-700, 2011
A comprehensive microscopic picture of the benzhydryl radical and cation photogeneration and interconversion through electron transfer
CF Sailer, S Thallmair, BP Fingerhut, C Nolte, J Ammer, H Mayr, I Pugliesi, ...
ChemPhysChem 14 (7), 1423-1437, 2013
Controlling Photorelaxation in Uracil with Shaped Laser Pulses: A Theoretical Assessment
D Keefer, S Thallmair, S Matsika, R de Vivie-Riedle
Journal of the American Chemical Society 139 (14), 5061-5066, 2017
Chemoselective quantum control of carbonyl bonds in Grignard reactions using shaped laser pulses
C Gollub, M Kowalewski, S Thallmair, R de Vivie-Riedle
Physical Chemistry Chemical Physics 12 (48), 15780-15787, 2010
Quantum Dynamics in an Explicit Solvent Environment: A Photochemical Bond Cleavage Treated with a Combined QD/MD Approach
S Thallmair, JPP Zauleck, R de Vivie-Riedle
Journal of chemical theory and computation 11 (5), 1987-1995, 2015
Quantum dynamics of a photochemical bond cleavage influenced by the solvent environment: a dynamic continuum approach
S Thallmair, M Kowalewski, JPP Zauleck, MK Roos, R de Vivie-Riedle
The journal of physical chemistry letters 5 (20), 3480-3485, 2014
Ion‐Pairing of Phosphonium Salts in Solution: C H⋅⋅⋅ Halogen and C H⋅⋅⋅ π Hydrogen Bonds
J Ammer, C Nolte, K Karaghiosoff, S Thallmair, P Mayer, ...
Chemistry-A European Journal 19 (43), 14612-14630, 2013
Design of specially adapted reactive coordinates to economically compute potential and kinetic energy operators including geometry relaxation
S Thallmair, MK Roos, R de Vivie-Riedle
The Journal of chemical physics 144 (23), 234104, 2016
Pitfalls of the Martini Model
R Alessandri, PC Telles de Souza, S Thallmair, MN Melo, AH De Vries, ...
Journal of Chemical Theory and Computation, 2019
Cholesterol flip-flop impacts domain registration in plasma membrane models
S Thallmair, HI Ingólfsson, SJ Marrink
The journal of physical chemistry letters 9 (18), 5527-5533, 2018
Strategies towards the purposeful design of long-range ferromagnetic ordering due to spin canting
S Thallmair, W Bauer, B Weber
Polyhedron 28 (9-10), 1796-1801, 2009
Two new methods to generate internal coordinates for molecular wave packet dynamics in reduced dimensions
JPP Zauleck, S Thallmair, M Loipersberger, R de Vivie-Riedle
Journal of chemical theory and computation 12 (12), 5698-5708, 2016
A multi target approach to control chemical reactions in their inhomogeneous solvent environment
D Keefer, S Thallmair, JPP Zauleck, R de Vivie-Riedle
Journal of Physics B: Atomic, Molecular and Optical Physics 48 (23), 234003, 2015
Ground and excited state surfaces for the photochemical bond cleavage in phenylmethylphenylphosphonium ions
S Thallmair, BP Fingerhut, R de Vivie-Riedle
The Journal of Physical Chemistry A 117 (41), 10626-10633, 2013
Ultrafast photochemistry with two product channels: Wavepacket motion through two distinct conical intersections
E Riedle, MK Roos, S Thallmair, CF Sailer, N Krebs, BP Fingerhut, ...
Chemical Physics Letters 683, 128-134, 2017
Molecular features in complex environment: Cooperative team players during excited state bond cleavage
S Thallmair, MK Roos, R de Vivie-Riedle
Structural Dynamics 3 (4), 043205, 2016
Molecular wave packet dynamics decelerated by solvent environment: A theoretical approach
S Thallmair, M Kowalewski, BP Fingerhut, CF Sailer, R de Vivie-Riedle
EPJ Web of Conferences 41, 05043, 2013
Lipid Fingerprints and Cofactor Dynamics of Light-Harvesting Complex II in Different Membranes
S Thallmair, PA Vainikka, SJ Marrink
Biophysical journal 116 (8), 1446-1455, 2019
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