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The Journal of Physical Chemistry. A|September 20, 2013
Ground and excited state surfaces for the photochemical bond cleavage in phenylmethylphenylphosphonium ionsSebastian Thallmair, Benjamin P Fingerhut, Regina de Vivie-RiedleThe Journal of Chemical Physics|June 24, 2016
Design of specially adapted reactive coordinates to economically compute potential and kinetic energy operators including geometry relaxationSebastian Thallmair, Matthias K Roos, Regina de Vivie-RiedleStructural Dynamics (Melville, N.Y.)|March 10, 2016
Molecular features in complex environment: Cooperative team players during excited state bond cleavageSebastian Thallmair, Matthias K Roos, Regina de Vivie-RiedlePhysical Chemistry Chemical Physics : PCCP|August 25, 2018
Ultrafast non-adiabatic dynamics of excited diphenylmethyl bromide elucidated by quantum dynamics and semi-classical on-the-fly dynamicsFranziska Schüppel, Matthias K Roos, Regina de Vivie-RiedlePhysical Chemistry Chemical Physics : PCCP|November 18, 2010
Chemoselective quantum control of carbonyl bonds in Grignard reactions using shaped laser pulsesCaroline Gollub, Markus Kowalewski, Sebastian Thallmair, et al.Journal of Chemical Theory and Computation|November 18, 2015
Quantum Dynamics in an Explicit Solvent Environment: A Photochemical Bond Cleavage Treated with a Combined QD/MD ApproachSebastian Thallmair, Julius P P Zauleck, Regina de Vivie-RiedleThe Journal of Physical Chemistry. A|October 22, 2020
Multiscale Conformational Sampling Reveals Excited-State Locality in DNA Self-Repair MechanismViviana Piccinni, Sebastian Reiter, Daniel Keefer, et al.Faraday Discussions|March 29, 2012
Searching for pathways involving dressed states in optimal control theoryPhilipp von den Hoff, Markus Kowalewski, Regina de Vivie-RiedleStructural Dynamics (Melville, N.Y.)|June 25, 2021
Ultrafast strong-field dissociation of vinyl bromide: An attosecond transient absorption spectroscopy and non-adiabatic molecular dynamics studyFlorian Rott, Maurizio Reduzzi, Thomas Schnappinger, et al.Physical Chemistry Chemical Physics : PCCP|November 2, 2022
Q-Band relaxation in chlorophyll: new insights from multireference quantum dynamicsSebastian Reiter, Lena Bäuml, Jürgen Hauer, et al.Pageof 10