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List of publications

Preprints, 2017-2016, 2015-2011, 2010-2006, 2005-2001, 2000 and earlier

The links given below should open a new browser window and lead you to the paper's abstract on the publisher's website, provided you have permission to view them.

Copyright is held by the authors or, for published articles, by the respective editor. In this case it is accessible via the published version or the URL given below. Articles may be downloaded for personal use only. Any other usage requires prior permission of the author and / or the respective editor.


2017 (top of page)

  • T. Schnappinger, P. Kölle, M. Marazzi, A. Monari, L. Gonzalez, and R. de Vivie-Riedle
    Ab initio molecular dynamics of thiophene: The interplay of internal conversion and intersystem crossing
    Phys. Chem. Chem. Phys. 19 (2017), 25662-25670.
  • H. Li, X. Gong, K. Lin, R. de Vivie-Riedle, X. Tong, J. Wu, and M. F. Kling
    Sub-cycle directional control of the dissociative ionization of H2 in tailored femtosecond laser fields
    J. Phys. B: At., Mol. Opt. Phys. 50 (2017), 172001.
  • H. Li, N. G. Kling, T. Gaumnitz, C. Burger, R. Siemering, J. Schötz, Q. Liu, L. Ban, Y. Pertot, J. Wu, A. M. Azzeer, R. de Vivie-Riedle, H. J. Wörner, and M. F. Kling
    Sub-cycle steering of the deprotonation of acetylene by intense few-cycle mid-infrared laser fields
    Opt. Express 25 (2017), 14192.
  • B. Jochim, R. Siemering, M. Zohrabi, O. Voznyuk, J. B. Mahowald, D. G. Schmitz, K. J. Betsch, B. Berry, T. Severt, N. G. Kling, T. G. Burwitz, K. D. Carnes, M. F. Kling, I. Ben-Itzhak, E. Wells, and R. de Vivie-Riedle
    The importance of Rydberg orbitals in dissociative ionization of small hydrocarbon molecules in intense laser fields
    Sci. Rep. 7, Article number: 4441 (2017).
  • M. Kübel, C. Burger, R. Siemering, N. G. Kling, B. Bergues, A. S. Alnaser, I. Ben-Itzhak, R. Moshammer, R. de Vivie-Riedle and M. F. Kling
    Phase- and intensity-dependence of ultrafast dynamics in hydrocarbon molecules in few-cycle laser fields
    Mol. Phys. 115 (2017), 1835-1845.
  • E. Riedle, M. K. Roos, S. Thallmair, C. F. Sailer, N. Krebs, B. P. Fingerhut, and R. de Vivie-Riedle
    Ultrafast photochemistry with two product channels: wavepacket motion through two distinct conical intersections
    Chem. Phys. Lett. 683 (2017), 128-134.
  • D. Keefer, S. Thallmair, S. Matsika, and R. de Vivie-Riedle
    Controlling Photorelaxation in Uracil with Shaped Laser Pulses: A Theoretical Assessment
    J. Am. Chem. Soc. 139 (2017), 5061-5066.
  • S. Thallmair, D. Keefer, F. Rott, and R. de Vivie-Riedle
    Simulating the control of molecular reactions via modulated light fields: From gas phase to solution
    J. Phys. B: At., Mol. Opt. Phys. 50 (2017), 082001.
  • S. Oesterling, O. Schalk, T. Geng, R. D. Thomas, T. Hansson, and R. de Vivie-Riedle
    Substituent effects on the relaxation dynamics of furan, furfural and β-furfural: a combined theoretical and experimental approach
    Phys. Chem. Chem. Phys. 19 (2017), 2025-2035.
  • B. S. Matsuura, P. Kölle, D. Trauner, R. de Vivie-Riedle, and R. Meier
    Unravelling Photochemical Relationships Among Natural Products from Aplysia dactylomela
    ACS Cent. Sci. 3 (2017), 39-46.

2016 (top of page)

  • F. Nicoli, M. K. Roos, E. A. Hemmig, M. Di Antonio, R. de Vivie-Riedle, and T. Liedl
    Proximity-Induced H-Aggregation of Cyanine Dyes on DNA-Duplexes
    J. Phys. Chem. A 120 (2016), 9941-9947.
  • J. P. P. Zauleck, S. Thallmair, M. Loipersberger, and R. de Vivie-Riedle
    Two new methods to generate internal coordinates for molecular wave packet dynamics in reduced dimensions
    J. Chem. Theory Comput. 12 (2016), 5698-5708.
  • D. Keefer, S. Thallmair, S. Matsika, and R. de Vivie-Riedle
    How to Control the Ultrafast Dynamics of Uracil with Shaped Laser Pulses: Theoretical Insights
    in: Ultrafast Phenomena XX, OSA Technical Digest (online) (Optical Society of America, 2016).
  • D. Keefer, S. Thallmair, J. P. Zauleck, and R. de Vivie-Riedle
    Optimal Control Theory for Molecular Reactions in Atomistic Surroundings
    in: Ultrafast Phenomena XX, OSA Technical Digest (online) (Optical Society of America, 2016).
  • C. Burger, Nora G. Kling, R. Siemering, A. S. Alnaser, B. Bergues, A. M. Azzeer, R. Moshammer, R. de Vivie-Riedle, M. Kübel and M. Kling
    Visualization of bond rearrangements in acetylene using near single-cycle laser pulses
    Faraday Discuss. 194 (2016), 495-508.
  • S. Thallmair, M. K. Roos, and R. de Vivie-Riedle
    Design of specially adapted reactive coordinates to economically compute potential and kinetic energy operators including geometry relaxation
    J. Chem. Phys. 144 (2016), 234104.
  • M. Kübel, R. Siemering, C. Burger, Nora G. Kling, H. Li, A. S. Alnaser, B. Bergues, S. Zherebtsov, A. M. Azzeer, I. Ben-Itzhak, R. Moshammer, R. de Vivie-Riedle, and M. F. Kling
    Steering Proton Migration in Hydrocarbons Using Intense Few-Cycle Laser Fields
    Phys. Rev. Lett. 116 (2016), 193001.
  • P. Kölle, T. Schnappinger, and R. de Vivie-Riedle
    Deactivation pathways of thiophene and oligothiophenes: internal conversion versus intersystem crossing
    Phys. Chem. Chem. Phys. 18 (2016), 7903-7915.
  • S. Thallmair, M. K. Roos, and R. de Vivie-Riedle
    Molecular features in complex environment: Cooperative team players during excited state bond cleavage
    Struct. Dyn. 3 (2016), 043205.
  • W. Hua, S. Oesterling, J. D. Biggs, Y. Zhang, H. Ando, R. de Vivie-Riedle, B. P. Fingerhut, and S. Mukamel
    Monitoring conical intersections in the ring opening of furan by attosecond stimulated X-ray Raman spectroscopy
    Struct. Dyn. 3 (2016), 023601.

2015 (top of page)

2014 (top of page)

  • S. Thallmair, M. Kowalewski, J. P. P. Zauleck, M. K. Roos, and R. de Vivie-Riedle
    Quantum dynamics of a photochemical bond cleavage influenced by the solvent environment: A dynamic continuum approach
    J. Phys. Chem. Lett. 5 (2014), 3480-3485.
  • D. Stichnoth, P. Kölle, T. J. Kimbrough, E. Riedle, R. de Vivie-Riedle, and D. Trauner
    Photochemical formation of intricarene
    Nat. Commun. 5, Article number: 5597 (2014).
  • B. März, S. Wiedbrauk, S. Oesterling, E. Samoylova, A. Nenov, P. Mayer, R. de Vivie-Riedle, W. Zinth, and H. Dube
    Making fast photoswitches faster – using Hammett analysis to understand the limit of donor-acceptor approaches for faster hemithioindigo photoswitches
    Chem. Eur. J. 19 (2014), 13984-13992.
  • M. Kowalewski, J. Mikosch, R. Wester, and R. de Vivie-Riedle
    Nucleophilic substitution dynamics: Comparing wave packet calculations with experiment
    J. Phys. Chem. A 118 (2014), 4661-4669.
  • H. Braun, T. Bayer, C. Sarpe, R. Siemering, R. de Vivie Riedle, T. Baumert, and M. Wollenhaupt
    Coupled electron-nuclear wavepacket dynamics in potassium dimers
    J. Phys. B: At. Mol. Opt. Phys. 47 (2014), 124015.
  • A. S. Alnaser, M. Kübel, R. Siemering, B. Bergues, N. G. Kling, K. J. Betsch, Y. Deng, J. Schmidt, Z. A. Alahmed, A. M. Azzeer, J. Ullrich, I. Ben-Itzhak, R. Moshammer, U. Kleineberg, F. Krausz, R. de Vivie-Riedle, and M.F. Kling
    Subfemtosecond steering of hydrocarbon deprotonation through superposition of vibrational modes
    Nat. Commun. 5, Article number: 3800 (2014).
  • S. Thallmair, R. Siemering, P. Kölle, M. Kling, M. Wollenhaupt, T. Baumert, and R. de Vivie-Riedle
    The interplay of nuclear and electronic motion in the control of molecular processes: a theoretical perspective
    in: Molecular quantum dynamics – from theory to applications, F. Gatti (Ed.),
    Springer, 2014, 213-248 (ISBN 978-3-642-45289-5).
  • C. Gollub, P. von den Hoff, M. Kowalewski, U. Troppmann, and R. de Vivie-Riedle
    Vibrational energy transfer through molecular chains: an approach toward scalable information processing
    in: Quantum information and computation for chemistry, S. Kais (Ed.), A. R. Dinner, S. A. Rice (Series Eds.),
    Adv. Chem. Phys. 154, John Wiley & Sons, Inc., Hoboken, New Jersey, 2014, 371-402 (ISBN: 978-1-118-49566-7).
  • M. Dittmann, F. F. Graupner, B. März, S. Oesterling, R. de Vivie-Riedle, W. Zinth, M. Engelhard, and W. Lüttke
    Photostabilität von 4,4'-Dihydroxythioindigo: ein Mimetikum des Indigo
    Angew. Chem. 126 (2014), 602-605.
    Photostability of 4,4'-Dihydroxythioindigo a mimetic of indigo
    Angew. Chem. Int. Ed. 53 (2014), 591-594.

2013 (top of page)

  • E. Wells, C. E. Rallis, M. Zohrabi, R. Siemering, B. Jochim, P. R. Andrews, U. Ablikim, B. Gaire, S. De, K. D. Carnes, B. Bergues, R. de Vivie-Riedle, M. F. Kling, and I. Ben-Itzhak
    Adaptive strong-field control of chemical dynamics guided by three-dimensional momentum imaging
    Nat. Commun. 4, Article number: 2895 (2013).
  • S. Thallmair, B. P. Fingerhut, and R. de Vivie-Riedle
    Ground and excited state surfaces for the photochemical bond cleavage in phenylmethylphenylphosphonium ions
    J. Phys. Chem. A 117 (2013), 10626-10633.
  • M. Vrabel, P. Kölle, K. M. Brunner, M. J. Gattner, V. López-Carrillo, R. de Vivie-Riedle, and T. Carell
    Norbornenes in inverse electron-demand Diels-Alder reactions
    Chem. Eur. J. 19 (2013), 13309-13312.
  • J. Ammer, C. Nolte, K. Karaghiosoff, S. Thallmair, P. Mayer, R. de Vivie-Riedle, and H. Mayr
    Ion-pairing of phosphonium salts in solution: C-H⋅⋅⋅halogen and C-H⋅⋅⋅π hydrogen bonds
    Chem. Eur. J. 19 (2013), 14612-14630.
  • M. Kling, P. von den Hoff, I. Znakovskaya, and R. de Vivie-Riedle
    (Sub-)femtosecond control of molecular reactions via tailoring the electric field of light
    Phys. Chem. Chem. Phys. 15 (2013), 9448-9467.
  • H. Braun, P. von den Hoff, T. Bayer, R. Siemering, R. de Vivie-Riedle, M. Wollenhaupt, and T. Baumert
    Efficient attosecond control of electron dynamics in molecules
    Ultrafast Phenomena XVIII, M. Chergui, S. Cundiff, A. Taylor, R. de Vivie-Riedle, K. Yamanouchi (Eds.), EPJ Web of Conferences 41 (2013), 02026.
  • M. Kowalewski, S. Kahra, G. Leschhorn, T. Schätz, and R. de Vivie-Riedle
    Femtosecond pump-probe spectroscopy for single trapped molecular ions
    Ultrafast Phenomena XVIII, M. Chergui, S. Cundiff, A. Taylor, R. de Vivie-Riedle, K. Yamanouchi (Eds.), EPJ Web of Conferences 41 (2013), 02028.
  • C. Sailer, N. Krebs, B. Fingerhut, R. de Vivie-Riedle, and E. Riedle
    Wavepacket splitting in the first 100 fs determines the products from the bond cleavage of diphenylmethylchloride
    Ultrafast Phenomena XVIII, M. Chergui, S. Cundiff, A. Taylor, R. de Vivie-Riedle, K. Yamanouchi (Eds.), EPJ Web of Conferences 41 (2013), 05042.
  • S. Thallmair, M. Kowalewski, B. P. Fingerhut, C. F. Sailer, and R. de Vivie-Riedle
    Molecular wave packet dynamics decelerated by solvent environment: A theoretical approach
    Ultrafast Phenomena XVIII, M. Chergui, S. Cundiff, A. Taylor, R. de Vivie-Riedle, K. Yamanouchi (Eds.), EPJ Web of Conferences 41 (2013), 05043.
  • W. Zinth, B. P. Fingerhut, T. T. Herzog, G. R. Ryseck, K. Haiser, F. F. Graupner, K. Heil, P. Gilch, W. J. Schreier, T. Carell, and R. de Vivie-Riedle
    Ultrafast spectroscopy of UV-induced DNA-lesions – on the search for strategies which keep DNA alive
    Ultrafast Phenomena XVIII, M. Chergui, S. Cundiff, A. Taylor, R. de Vivie-Riedle, K. Yamanouchi (Eds.), EPJ Web of Conferences 41 (2013), 07005.
  • T. Bayer, H. Braun, C. Sarpe, R. Siemering, P. von den Hoff, R. de Vivie-Riedle, T. Baumert, and M. Wollenhaupt
    Charge oscillation controlled molecular excitation
    Phys. Rev. Lett. 110 (2013), 123003.
  • C. F. Sailer, S. Thallmair, B. P. Fingerhut, C. Nolte, J. Ammer, H. Mayr, I. Pugliesi, R. de Vivie-Riedle, and E. Riedle
    A comprehensive microscopic picture of the benzhydryl radical and cation photogeneration and interconversion through electron transfer
    Chem. Phys. Chem. 14 (2013), 1423-1437.

2012 (top of page)

  • A. Nenov, W. J. Schreier, F. Koller, M. Braun, R. de Vivie-Riedle, W. Zinth, and I. Pugliesi
    Molecular model of the ring-opening and ring-closure reaction of a fluorinated indolylfulgide
    J. Phys. Chem. A 116 (2012), 10518-10528.
  • A. Nenov and R. de Vivie-Riedle
    Conical intersection seams in polyenes derived from their chemical composition
    J. Chem. Phys. 137 (2012), 074101.
  • P. von den Hoff, S. Thallmair, M. Kowalewski, R. Siemering, and R. de Vivie-Riedle
    Optimal control theory – closing the gap between theory and experiment
    Phys. Chem. Chem. Phys. 14 (2012), 14460-14485.
  • B. P. Fingerhut, T. T. Herzog, G. Ryseck, K. Haiser, F. F. Graupner, K. Heil, P. Gilch, W. J. Schreier, T. Carell, R. de Vivie-Riedle, and W. Zinth
    Dynamics of ultraviolet-induced DNA lesions: Dewar formation guided by pre-tension induced by the backbone
    New J. Phys. 14 (2012), 065006.
  • B. P. Fingerhut, S. Oesterling, K. Haiser, K. Heil, A. Glas, W. J. Schreier, W. Zinth, T. Carell, and R. de Vivie-Riedle
    ONIOM approach for non-adiabatic on-the-fly molecular dynamics demonstrated for the backbone controlled Dewar valence isomerization
    J. Chem. Phys. 136 (2012), 204307.
  • B. P. Fingerhut, K. Heil, E. Kaya, S. Oesterling, R. de Vivie-Riedle, and T. Carell
    Mechanism of UV-induced Dewar lesions repair catalysed by DNA (6-4) Photolyase
    Chem. Sci. 3 (2012), 1794-1797.
  • B. P. Fingerhut, C. F. Sailer, J. Ammer, E. Riedle, and R. de Vivie-Riedle
    Build-up and Decay of the Optical Absorption in the Ultrafast Photo-Generation and Reaction of Benzhydryl Cations in Solution
    J. Phys. Chem. A 116 (2012), 11064-11074.
  • S. Kahra, G. Leschhorn, M. Kowalewski, A. Schiffrin, E. Bothschafter,W. Fuß, R. de Vivie-Riedle, R. Ernstorfer, F. Krausz, R. Kienberger, T. Schaetz
    Controlled delivery of single molecules into ultra-short laser pulses: a molecular conveyor belt.
    Nature Physics 8 (2012), 238-242.
  • I. Znakovskaya, P. von den Hoff, G. Marcus, S. Zherebtsov, B. Bergues, X. Gu, Y. Deng, M.J.J. Vrakking, R. Kienberger, F. Krausz, R. de Vivie-Riedle and M.F. Kling
    Sub-cycle controlled charge-directed reactivity with few-cycle mid-infrared pulses
    Phys. Rev. Lett. 108 (2012), 063002.

2011 (top of page)

  • K. Haiser, B. P. Fingerhut, K. Heil, A. Glas, T. T. Herzog, B. M. Pilles, W. J. Schreier, W. Zinth, R. de Vivie-Riedle and T. Carell
    Mechanismus der UV-induzierten Bildung von Dewar-Schäden in DNA
    Angew. Chem. 124 (2012), 421-424.
    Mechanism of UV-induced formation of dewar lesions in DNA
    Angew. Chem. Int. Ed. 51 (2012), 408-411.
  • M. Kowalewski, G. Morigi, P. W. H. Pinkse, and R. de Vivie-Riedle
    Cavity sideband cooling of trapped molecules.
    Phys. Rev. A 84 (2011), 033408.
  • Artur Nenov and Regina de Vivie-Riedle
    Geometrical and Substituent Effects in Conical Intersections: Linking Chemical Structure and Photoreactivity in Polyenes
    J. Chem. Phys. 135 (2011), 034304.
  • T. Buckup, J. Hauer, J. Voll, R. Vivie-Riedle and M. Motzkus
    A General Control Mechanism of Energy Flow in the Excited State of Polyenic Biochromophores
    Faraday Disc. 153 (2011), 213-225.
  • P. von den Hoff, M. Kowalewski and R. de Vivie-Riedle
    Searching for pathways involving dressed states in optimal control theory
    Faraday Disc. 153 (2011), 159-171.
  • I. Znakovskaya, P. von den Hoff, N. Schirmel, G. Urbasch, S. Zherebtsov, B. Bergues, R. de Vivie-Riedle, K.-M. Weitzel, M. F. Kling
    Waveform control of orientation-dependent ionization of DCl in few-cycle laser fields
    Phys. Chem. Chem. Phys. 13 (2011), 8653-8658.
  • P. von den Hoff, M. Kowalewski, R. Siemering and R. de Vivie-Riedle
    Electron dynamics and its control in molecules: From diatomics to larger molecular systems.
    IEEE Journal of Selected Topics in Quantum Electronics 18 (2012), 119-129.
  • P. von den Hoff, R. Siemering and R. de Vivie-Riedle
    Molecular processes controllable by electron dynamics.
    Ultrafast Phenomena XVII, M. Chergui, D. Jonas, E. Riedle, R.W. Schoenlein, A. Taylor, eds. (Oxford University Press, Inc., New York 2011), 101-103.
  • C. F. Sailer, B. P. Fingerhut, J. Ammer, C. Nolte, I. Pugliesi, H. Mayr, R. de Vivie-Riedle and E. Riedle
    The first picosecond in the life of benzhydryl cations: ultrafast generation and chemical reactions.
    Ultrafast Phenomena XVII, M. Chergui, D. Jonas, E. Riedle, R.W. Schoenlein, A. Taylor, eds. (Oxford University Press, Inc., New York 2011), 427-429.
  • B. P. Fingerhut, W. Zinth and R. de Vivie-Riedle
    Optimization of the fast charge separation in artificial photosynthesis for efficient transport.
    Ultrafast Phenomena XVII, M. Chergui, D. Jonas, E. Riedle, R.W. Schoenlein, A. Taylor, eds. (Oxford University Press, Inc., New York 2011), 622-624.

2010 (top of page)

  • A. Nenov, T. Cordes, T. T. Herzog, W. Zinth and R. de Vivie-Riedle
    Molecular Driving Forces for Z/E Isomerization Mediated by Heteroatoms: The Example Hemithioindigo.
    J. Phys. Chem. A 114 (2010), 13016.
  • C. Gollub, M. Kowalewski, S. Thallmair and R. de Vivie-Riedle
    Chemoselective quantum control of carbonyl bonds in Grignard reactions using shaped laser pulses.
    Phys. Chem. Chem. Phys. 12 (2010), 15780.
  • B. P. Fingerhut, W. Zinth and R. de Vivie-Riedle
    The detailed balance limit of photochemical energy conversion
    Phys. Chem. Chem. Phys. 12 (2010), 422.
  • G. Piredda, C. Gollub, R. de Vivie-Riedle and A. Hartschuh
    Controlling near-field optical intensities in metal nanoparticle systems by polarization pulse shaping
    Appl. Phys. B 100 (2010), 195.
  • Artur Nenov, Patrick Kölle, Michael A. Robb and Regina de Vivie-Riedle
    Beyond the van der Lugt / Oosterhoff model: When the Conical Intersection Seam and the S1 Minimum Energy Path do not Cross
    J. Org. Chem. 75 (2010), 123.
  • P. von den Hoff, I. Znakovskaya, S. Zherebtsov, M. F. Kling and R. de Vivie-Riedle
    Effects of multi orbital contributions in the angular dependent ionization of molecules in intense few-cycle laser pulses
    Appl. Phys. B. 98 (2010), 659.

2009 (top of page)

  • P. von den Hoff, I. Znakovskaya, M. F. Kling and R. de Vivie-Riedle
    Attosecond control of the dissociative ionization via electron localization: a comparison between D2 and CO
    Chem. Phys. 366 (2009), 139.
  • J. Voll and R. de Vivie-Riedle
    Pulse trains in molecular dynamics and coherent spectroscopy: a theoretical study
    New J. Phys. 11 (2009), 105036.
  • I. Znakovskaya, P. von den Hoff, S. Zherebtsov, A. Wirth, O. Herrwerth, M. J. J. Vrakking, R. de Vivie-Riedle, and M. F. Kling
    Attosecond Control of Electron Dynamics in Carbon Monoxide
    Phys. Rev. Lett. 103 (2009), 103002.
  • C. Gollub and R. de Vivie-Riedle
    A modified Ant Colony Optimization Algorithm as an Alternative to Genetic Algorithms.
    Phys. Rev. A (Rapid Comm.) 79 (2009), 021401(R).
  • C. Gollub and R. de Vivie-Riedle
    Multi-objective genetic algorithm optimization of 2D- and 3D-Pareto fronts for vibrational quantum processes.
    New J. Phys. 11 (2009), 013019.

2008 (top of page)

  • B. P. Fingerhut, W. Zinth, and R. de Vivie-Riedle
    Design Criteria for Optimal Photosynthetic Energy Conversion.
    Chem. Phys. Lett. 466 (2008), 209-213.
  • T. Cordes, S. Malkmus, J. Di Girolamo, W. J. Lees, A. Nenov, R. de Vivie-Riedle, M. Braun, and W. Zinth
    Accelerated and Efficient Photochemistry from Higher Excited Electronic States in Fulgide Molecules.
    J. Phys. Chem. A 112 (2008), 13364-13371.
  • B. P. Fingerhut, W. Zinth, and R. de Vivie-Riedle
    Electron Transfer in Photosynthetic Reaction Centers: Optimization in Model and Nature.
    Ultrafast Phenomena XVI, Springer Series in chemical physics, (2009), 571.
  • P. von den Hoff, D. Geppert and R. de Vivie-Riedle
    Simultaneous description of electron and nuclear dynamics: a quantum approach for multi-electron systems.
    Ultrafast Phenomena XVI, Springer Series in chemical physics, (2009), 54.
  • J. Hauer, T. Buckup, J. Voll, R. de Vivie-Riedle and M. Motzkus
    Coherent Control of Matter Waves Passing Through a Conical Intersection in β-Carotene.
    Ultrafast Phenomena XVI, Springer Series in chemical physics, (2009), 436.
  • C. Gollub and R. de Vivie-Riedle
    Theoretical optimization and prediction in the experimental search space for vibrational quantum processes.
    Phys. Rev. A 78 (2008), 033424.
  • C. Gollub, M. Kowalewski and R. de Vivie-Riedle
    Monotonic convergent optimal control theory with strict limitations on the spectrum of optimized laser fields.
    Phys. Rev. Lett. 101 (2008), 073002.
  • C. Gollub and R. de Vivie-Riedle
    Comment on "Anharmonic properties of the vibrational quantum computer" [J. Chem. Phys. 126, 204102 (2007)].
    J. Chem. Phys. 128 (2008), 167101.
  • D. Geppert, P. von den Hoff and R. de Vivie-Riedle
    Electron dynamics in molecules: a new combination of nuclear quantum dynamics and electronic structure theory.
    J. Phys. B: At. Mol. Opt. Phys. 41 (2008), 074006.
  • B. P. Fingerhut, D. Geppert and R. de Vivie-Riedle
    Ultrafast Dissociation Pathways of Diphenylmethyl Chloride to Generate Reactive Carbo Cations.
    Chem. Phys. 343 (2008), 329.

2007 (top of page)

  • C. Schriever, M. Barbatti, K. Stock, A. J. A. Aquino, D.Tunega, S. Lochbrunner, E. Riedle, R. de Vivie-Riedle and H. Lischka
    The interplay of skeletal deformations and ultrafast excited-state intramolecular proton transfer: Experimental and theoretical investigation of 10-hydroxybenzo[h]quinoline.
    Chem. Phys. 347 (2007), 446.
  • Regina de Vivie-Riedle and Ulrike Troppmann
    Femtosecond Lasers for Quantum Information Technology.
    Chem. Rev. 107 (2007), 5082.
  • M. Kowalewski, G. Morigi, P. W. H. Pinkse and R. de Vivie-Riedle
    Cavity cooling of translational and rovibrational motion of molecules: ab initio-based simulations for OH and NO.
    Appl. Phys. B: Lasers Opt. 89 (2007), 459.
  • B. M. R. Schneider, C. Gollub, K. L. Kompa and R. de Vivie-Riedle
    Robustness of quantum gates operating on the high frequency modes of MnBr(CO)5.
    Chem. Phys. 338 (2007), 291.
  • G. Morigi, P. W. H. Pinkse, M. Kowalewski and R. de Vivie-Riedle
    Cavity Cooling of Internal Molecular Motion.
    Phys. Rev. Lett. 99 (2007), 073001.
  • J. Voll, T. Kerscher, D. Geppert and R. de Vivie-Riedle
    Influence of static and dynamical structural changes on ultrafast
    processes mediated by conical intersections.

    J. Photochem. Photobiol. A 190 (2007), 352-358.
  • C. Gollub, B. M. R. Korff, K. L. Kompa and R. de Vivie-Riedle
    Chirp-driven vibrational distribution in transition metal carbonyl complexes.
    PCCP 9 (2007), 369-376.

2006 (top of page)

  • U. Troppmann, C. Gollub and R. de Vivie-Riedle
    The role of phases and their interplay in molecular vibrational quantum computing with multiple qubits.
    New J. Phys. 8 (2006), 100.
  • C. Gollub, U. Troppmann and R. de Vivie-Riedle
    The role of anharmonicity and coupling in quantum computing based on vibrational qubits.
    New J. Phys. 8 (2006), 48.
  • D. Geppert and R. de Vivie-Riedle
    Control strategies for reactive processes involving vibrationally hot product states.
    J. Photochem. Photobiol. A 180 (2006), 282-288.
  • D. Geppert and R. de Vivie-Riedle
    Control strategies for molecular switches in donor-bridge-acceptor systems.
    Ultrafast Phenomena XV, Springer Series in chemical physics, (2006).

2005 (top of page)

  • D. Geppert and R. de Vivie-Riedle
    Reaction velocity control by manipulating the momentum of a nuclear wave packet with phase-sensitive optimal control theory.
    Chem. Phys. Lett. 404 (2005), 289-295.
  • U. Troppmann, C. M. Tesch and R. de Vivie-Riedle
    Quantum Gates and Algorithms Operating on Molecular Vibrations.
    in Quantum Information Processing 2nd edition, (G.Leuchsand Thomas Beth, Eds.) Wiley-VCH, Weinheim, 2005.
  • U. Troppmann and R. de Vivie-Riedle
    Mechanisms of local and global molecular quantum gates and their implementation prospects.
    J. Chem. Phys. 122 (2005), 154105.
  • B. M. R. Korff, U. Troppmann and R. de Vivie-Riedle
    Manganese-pentacarbonyl-bromide as candidate for a molecular qubit system operated in the infrared regime.
    J. Chem. Phys. 123 (2005), 244509.

2004 (top of page)

  • R. de Vivie-Riedle and A. Hofmann
    Non-adiabatic Quantum Dynamics and Control Strategies
    in Conical intersections: Electronic Structure, Dynamics and spectroscopy (W. Domcke, D. R. Yarkony and H. Köppel, Eds.) World Scientific, Singapore (2004).
  • C. Tesch and R. de Vivie-Riedle
    Vibrational molecular quantum computing:
    basis set independence and theoretical realization of the Deutsch-Jozsa algorithm.

    J. Chem. Phys. 121 (2004), 12158-12168.
  • D. Geppert, L. Seyfarth, and R. de Vivie-Riedle
    Laser control schemes for molecular switches.
    App. Phys. B 79 (2004), 987-992.
  • R. de Vivie-Riedle and D. Geppert
    Control strategies in the presence of conical intersections.
    in CCP6: Quantum Dynamics at Conical Intersections (S. Althorpe and G. Worth, Eds.) 2004.

2003 (top of page)

2002 (top of page)

  • R. de Vivie-Riedle and C. Tesch
    Molecular Quantum Computing: Implementation of Global Quantum Gates Applying Optimal Control Theory
    in Ultrafast Phenomena XIII (N. Scherer, M. Murnane, R. Miller and A. Wiersma, Eds.) Springer-Verlag, Berlin (2002).
  • Th. Hornung, M. Motzkus, and R. de Vivie-Riedle
    Theoretical models predicting the outcome of Raman type control experiments
    in Ultrafast Phenomena XIII (N. Scherer, M. Murnane, R. Miller and A. Wiersma, Eds.) Springer-Verlag, Berlin (2002).
  • R. de Vivie-Riedle, T. Hornung, A. Hofmann and C. Tesch
    Adapting Optimal Control Theory to a Variety of Molecular Applications
    in Femtochemistry and Femtobiology (A. Douhal and J. Santamaria, Eds.) Ultrafast Dynamics in Molecular Science, World Scientific (2002) 505.
  • C. M. Tesch and R. de Vivie-Riedle
    Quantum computation with vibrationally excited molecules
    Phys. Rev. Lett. 89 (2002), 157901.
  • Thomas Hornung, Sergei Gordienko, Regina de Vivie-Riedle, and Boudewijn J. Verhaar
    Optimal Conversion of an atomic to a molecular Bose-Einstein-Condensate
    Phys. Rev. A 66 (2002), 043607.
  • C. Tesch and R. de Vivie-Riedle
    Molecular Quantum Computing Applying Optimal Control Theory: Theoretical Realization of Quantum Gates and Algorithms in the Model System Acetylene
    in Quantum Communication, Measurement & Computing (J. H. Shapiro and O. Hirota, Eds.) Rinton Press (2002).
  • Lukas Kurtz, Herschel Rabitz, and Regina de Vivie-Riedle
    Optimal use of time dependent probability density data to extract potential energy surfaces
    Phys. Rev. A 65 (2002), 032514. Preprint: physics/0109043.
  • Thomas Hornung, Marcus Motzkus, and Regina de Vivie-Riedle
    Teaching optimal control theory to distill robust pulses even under experimental constraints
    Phys. Rev. A 65 (2002), 021403.

2001 (top of page)

  • Regina de Vivie-Riedle, Lukas Kurtz, and Angelika Hofmann
    Coherent Control for ultrafast photchemical reactions
    Pure Appl. Chem. 73 (2001), 525-528.
  • Angelika Hofmann and Regina de Vivie-Riedle
    Adiabatic approach for ultrafast quantum dynamics mediated by simultaneously active conical intersections
    Chem. Phys. Lett. 346 (2001), 299-304.
  • Carmen M. Tesch, Lukas Kurtz, and Regina de Vivie-Riedle
    Applying optimal control theory for elements of quantum computation in molecular systems
    Chem. Phys. Lett. 343 (2001), 633-641.
  • Lukas Kurtz, Angelika Hofmann, and Regina de Vivie-Riedle
    Groundstate Normal Mode Analysis: Linking Excited State Dynamics and Experimental Observables
    J. Chem. Phys. 114 (2001), 6151-6159.
  • Thomas Hornung, Marcus Motzkus, and Regina de Vivie-Riedle
    Adapting OCT and using learning-loops to provide experimentally feasible shaping mask patterns
    J. Chem. Phys. 115 (2001), 3105-3110.
  • Carmen M. Tesch, Karl-Ludwig Kompa, and Regina de Vivie-Riedle
    Design of optimal infrared femtosecond laser pulses for the overtone excitation in acetylene
    Chem. Phys. 267 (2001), 173-185.
  • Thomas Hornung, Richard Meier, Regina de Vivie-Riedle, and Marcus Motzkus
    Coherent control of the molecular four-wave-mixing response by phase and amplitude shaped pulses
    Chem. Phys. 267 (2001), 261-276.

2000 (top of page)

  • Herschel Rabitz, Regina de Vivie-Riedle, Marcus Motzkus, and Karl Kompa
    Whither the Future of Controlling Quantum Phenomena?
    Science 288 (2000), 824-828.
  • R. de Vivie-Riedle and K. Sundermann
    Application of optimal control strategies for molecular reactions
    Nonlinear Optics 24 (2000), 203-206.
  • A. Hofmann and R. de Vivie-Riedle
    Quantum dynamics of photoexcited cyclohexadiene introducing reactive coordinates
    J. Chem. Phys. 112 (2000), 5054-5059.
  • K. Sundermann, H. Rabitz, and R. de Vivie-Riedle
    Compensating for spatial laser profile effects on the control of quantum systems
    Phys. Rev. A 62 (2000), 013409.
  • A. Hofmann, L. Kurtz, and R. de Vivie-Riedle
    Interaction of electronic structure and nuclear dynamics on the S1 reaction surface for the ringopening of cyclohexadiene
    Appl. Phys. B 71 (2000), 391-396.
  • K. Sundermann and R. de Vivie-Riedle
    Design and interpretation of laser pulses for the control of quantum systems
    Appl. Phys. B 71 (2000), 285-292.
  • A. Hofmann and R. de Vivie-Riedle
    Conical intersections as forking points in an ultrafast photoinduced chemical reaction
    J. Inf. Recording 25 (2000), 397-403.
  • R. de Vivie-Riedle, L. Kurtz, A. Hofmann, and K. Sundermann
    Passive and active control of photochemical processes
    J. Inf. Recording 25 (2000), 175-182
  • T. Hornung, R. Meier, R. de Vivie-Riedle, and M. Motzkus
    Optimal control of molecular states in a learning loop with a parameterization in frequency and time domain
    Chem. Phys. Lett. 326 (2000), 445-453.
  • E. Riedle, S. Lochbrunner, A.J. Wurzer, V. de Waele, and R. de Vivie-Riedle
    Does the proton move during ultrafast excited state intramolecular proton transfer?
    Ultrafast Phenomena XII, Eds. T. Elsaesser, S. Mukamel, M. Murnane, and N.F. Scherer, (Springer Verlag), (2000).

1999 (top of page)

1998 and earlier (top of page)

  • J. Manz, K. Sundermann, and R. de Vivie-Riedle
    Quantum optimal control strategies for photoisomerization via electronically excited states
    Chem. Phys. Lett. 290 (1998), 415.
  • R. de Vivie-Riedle, J. Manz, and K. Sundermann
    Optimal control for more dimensional quantum systems
    in: Ultrafast Phenomena XI, Eds. T. Elsaesser, J.G. Fujimoto, D.A. Wiersma, W. Zinth, (Springer Verlag), p. 465 (1998).
  • R.S. Berry, V. Bonacic-Koutecký, Th. Leisner, J. Manz, B. Reischl-Lenz, H. Ruppe, S. Rutz, E. Schreiber, St. Vajda, R. de Vivie-Riedle, S. Wolf and L. Wöste
    Size-Dependent Ultrafast Relaxation Phenomena in Metal Clusters
    Adv. Chem. Phys. 101 (1997), 101.
  • R. de Vivie-Riedle, and J. Manz
    Comment on Femtosecond Spectroscopy of Hole Burning in Vibrational Wave Packets
    Adv. Chem. Phys. 101 (1997), 196.
  • R. de Vivie-Riedle, J. Manz, B. Reischl-Lenz, and L. Wöste
    Comment on Coherent Vibrations Versus Intramolecluar Vibrational Redistribution Observed by fs-, ps- and cw Spectroscopy of Na3(B)
    Adv. Chem. Phys. 101 (1997), 132.
  • R. de Vivie-Riedle, J. Gaus, V. Bonacic-Koutecký, J. Manz, B. Reischl-Lenz and P. Saalfrank
    Theoretical Study of the Absorption Spectrum of the Pseudorotating Na3(B)
    Chem. Phys. 223 (1997), 1.
  • S. Schulz and R. de Vivie-Riedle
    A Practical Approach to Multivariate Interpolation
    Comp. Phys. 11 (1997), 647.
  • R. de Vivie-Riedle, S. Schulz, J. Höhndorf, and C.P. Schulz
    Ultrafast excitation process in NaNH3: a combined theoretical and experimental analysis
    Chem. Phys. 225 (1997), 299.
  • C. Daniel, R. de Vivie-Riedle, M.-C. Heitz, J. Manz, and P. Saalfrank
    From Laser Control of Vibrationally Mediated Photodissociation to Photodesorption: Model Simulations of Breaking Metal-Ligand Bonds in Organometallic Molecules, Clusters, and Adsorbates at Surfaces
    Int. J. Quant. Chem. 57 (1996), 595.
  • R. de Vivie-Riedle, K. Kobe, J. Manz, W. Meyer, B. Reischl S. Rutz, E. Schreiber and L. Wöste
    Femtosecond Study of Multiphoton Ionization Processes in K2: From Pump-Probe to Control
    J. Phys. Chem. 100 (1996), 7789.
  • S.S. Op de Beek, J.P.J. Driessen, H.C.W. Beijerinck, E.M. Spain, H. V. Parks, R. de Vivie-Riedle, and S.R. Leone
    An Optical Analogue to Complex-Valued Coherence Terms in Atomic Scattering
    Comments on At. Mol. Phys. 32 (1996), 327.
  • R. de Vivie-Riedle, J. Gaus, V. Bonacic-Koutecký, J. Manz, B. Reischl, S. Rutz, E. Schreiber, and L. Wöste
    Pulse Width Controlled Molecular Dynamics: Symmetric Stretch Versus Pseudortations in Na3(B)
    in: Femtosecond Chemistry and Physics of Ultrafast Processes, Ed. M. Chergui, (World Scientific Singapore, 1996).
  • B. Reischl, R. de Vivie-Riedle, S. Rutz, E. Schreiber
    Ultrafast Molecular Dynamics Controlled by Pulse Duration: The Na3 Molecule
    J. Chem. Phys. 104 (1996), 8857.
  • C.P. Schulz, R. de Vivie-Riedle, J. Höhndorf, P. Brockhaus, F. Noack, S. Schulz, and I.V. Hertel
    Ultrafast Dynamics in Small Sodium-Ammonia Clusters
    in: Fast Elementary Processes in Chemical and Biological Systems, Ed. A. Tramer, (American Institute of Physics 1996).
  • E. Schreiber, S. Rutz, R. de Vivie-Riedle
    Intensity Effects on Ionization Pathways in K2: Control of the Wave Packet Dynamics
    in: Laser in Forschung und Technik / Laser in Research and Engeneering Laser '95, Eds. W. Waidelich, H. Hügel, H. Opower, H. Tiziani, R. Wallenstein, and W. Zinth (Springer Verlag 1996).
  • S. Rutz, R. de Vivie-Riedle and E. Schreiber
    Femtosecond Wave-Packet Propagation in Spin-Orbit-Coupled Electronic States of 39,39K2 and 39,41K2
    Phys. Rev. A 54 (1996), 306.
  • R. de Vivie-Riedle and B. Reischl
    Quantum Calculations of Femtosecond Pump-Probe Spectroscopy in K2 for Low Laser Field Intensities
    Ber. Bunsenges. Phys. Chem. 99 (1995), 485.
  • R. de Vivie-Riedle, B. Reischl, S. Rutz, and Elmar Schreiber
    Femtosecond Study of Multiphoton Ionization Processes in K2 at Moderate Laser Intensities
    J. Phys. Chem. 99 (1995), 16829.
  • P. Hering, R. de Vivie-Riedle, R. R. Correia, S.L. Cunha, R. Opsal, G. Pichler, and K.L. Kompa
    CARS Spectroscopy of Nonadiabatic Collision Processes
    Symposium of Physics of ionized gases, Dubrovnik September 1990; Nova Publishing House, 1993. Editor: D. Veza.
  • R. de Vivie-Riedle, J.S.D. Driessen, S.R. Leone
    Three-vector Correlation Study of Orientation and Coherence Effects in Na(3p,2P1/22P3/2): Semiclassical and Quantum Calculations
    J. Chem. Phys 98 (1993), 2038.
  • R. Correia, G. Pichler, R. de Vivie-Riedle, P. Hering, K.L. Kompa
    Resonance CARS Overtones of NaH in a Na(3p)+H2 Gas Mixture
    Chem. Phys. Lett. 186 (1991), 531.
  • R. de Vivie, M.C. van Hemert, and S.D. Peyerimhoff
    Theoretical Spectroscopy of NO Radical
    III. [Lambda]-Doubling and Predissociation in the C2[Pi] state

    J. Chem. Phys. 92 (1990), 3613.
  • B. Gemein, R. de Vivie, and S.D. Peyerimhoff
    Ab Initio Study of the Three Lowest States X2[Sigma]+, 2[Pi]1/2, 2[Pi]3/2 and B 2[Sigma]+ of HeNe+ Ion: Potential Energy Curves, [Lambda]-Doubling and Predissociation Rates of the Rotational Levels in the 2[Pi]1/2 (v=0) State
    J. Chem. Phys. 93 (1990), 1165.
  • R. de Vivie-Riedle, P. Hering, and K.L. Kompa
    CARS Spectroscopy of Na-H2 Collision Complex: The Nature of the Na(3p)H2 Exciplex - Theoretical Ab Initio Calculations and Experimental Results
    Z. Phys. D 71 (1990), 299.
  • R. de Vivie and S.D. Peyerimhoff
    Theoretical Spectroscopy of NO radical
    II. [Lambda]-doubling in the Ground X2[Pi] State and Spin Orbit Effects in the Excited [Pi] states

    J. Chem. Phys. 90 (1989), 3660.
  • R. de Vivie, C.M. Marian, and S.D. Peyerimhoff
    A General Procedure for the Theoretical Study of [Lambda]-Doubling. Application to the X2[Pi]i States of OH and SH
    Mol. Phys. 63 (1988), 3.
  • R. de Vivie and S.D. Peyerimhoff
    Theoretical Spectroscopy of NO Radical
    I. Potential Curves and Lifetimes of Excited States

    J. Chem. Phys. 89 (1988), 3028.
  • R. de Vivie, C.M. Marian, and S.D. Peyerimhoff
    Spin-forbidden Transitions in the Presence of an Intersystem Crossing: Application to the b1[Sigma]+ State in OH+
    Chem. Phys. 112 (1987), 349.

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