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List of works by Sebastian Thallmair

A comprehensive microscopic picture of the benzhydryl radical and cation photogeneration and interconversion through electron transfer.

scientific article published on 28 March 2013

An Allosteric Pathway in Copper, Zinc Superoxide Dismutase Unravels the Molecular Mechanism of the G93A Amyotrophic Lateral Sclerosis-Linked Mutation

scientific article published on 03 December 2019

Capturing Choline-Aromatics Cation-π Interactions in the MARTINI Force Field

scientific article published on 09 March 2020

Chemoselective quantum control of carbonyl bonds in Grignard reactions using shaped laser pulses.

scientific article

Cholesterol Flip-Flop Impacts Domain Registration in Plasma Membrane Models

scientific article published on 11 September 2018

Complete and incomplete spin transitions in 1D chain iron(ii) compounds

article by Toni M. Pfaffeneder et al published 2011 in New Journal of Chemistry

Computational Redesign of an ω-Transaminase from <i>Pseudomonas jessenii</i> for Asymmetric Synthesis of Enantiopure Bulky Amines

scientific article published on 13 August 2021

Controlling Photorelaxation in Uracil with Shaped Laser Pulses: A Theoretical Assessment.

scientific article

Design of specially adapted reactive coordinates to economically compute potential and kinetic energy operators including geometry relaxation.

scientific article published in June 2016

Ground and excited state surfaces for the photochemical bond cleavage in phenylmethylphenylphosphonium ions

scientific article

Ion-pairing of phosphonium salts in solution: C-H⋅⋅⋅halogen and C-H⋅⋅⋅π hydrogen bonds.

scientific article published on 6 September 2013

Lipid Fingerprints and Cofactor Dynamics of Light-Harvesting Complex II in Different Membranes

scientific article published on 22 March 2019

Molecular dynamics simulations in photosynthesis

scientific article published on 15 April 2020

Molecular features in complex environment: Cooperative team players during excited state bond cleavage

scientific article published on 11 February 2016

Optimal control theory--closing the gap between theory and experiment.

scientific article

Perspective: a stirring role for metabolism in cells

scientific article published in 2022

Pitfalls of the Martini Model

scientific article published on 24 September 2019

Protein-ligand binding with the coarse-grained Martini model

scientific article published on 24 July 2020

Quantum Dynamics in an Explicit Solvent Environment: A Photochemical Bond Cleavage Treated with a Combined QD/MD Approach

scientific article published on 8 April 2015

Quantum Dynamics of a Photochemical Bond Cleavage Influenced by the Solvent Environment: A Dynamic Continuum Approach

scientific article published on 30 September 2014

Strategies towards the purposeful design of long-range ferromagnetic ordering due to spin canting

Two New Methods To Generate Internal Coordinates for Molecular Wave Packet Dynamics in Reduced Dimensions

scientific article published on 15 November 2016

Ultrafast Reactive Quantum Dynamics Coupled to Classical Solvent Dynamics Using an Ehrenfest Approach

scientific article published on 09 March 2018

Unidirectional rotating molecular motors dynamically interact with adsorbed proteins to direct the fate of mesenchymal stem cells

scientific article published on 29 January 2020

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