List of publications

2020-2016, 2015-2011, 2010-2006, 2005-2001, 2000 and earlier

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2024 (top of page)

• M. T. Peschel, J. Kussmann, C. Ochsenfeld, R. de Vivie-Riedle
  Simulation of the non-adiabatic dynamics of an enone-Lewis acid complex in an explicit solvent
  Phys. Chem. Chem. Phys. (2024), Advance Article.

• S. Reiter, I. Gordiy, K. L. Kollmannsberger, F. Liu, E. Thyrhaug, D. Leister, J. Warnan, J. Hauer, R. de Vivie-Riedle
  Molecular Interactions of Photosystem I and ZIF-8 in Bio-Nanohybrid Materials
  Phys. Chem. Chem. Phys. 26 (2024), 23228-23239.
• Y. Xu, M. T. Peschel, M. Jänchen, R. Foja, G. Storch, E. Thyrhaug, R. de Vivie-Riedle, and J. Hauer
  Determining Excited-State Absorption Properties of a Quinoid Flavin by Polarization-Resolved Transient Spectroscopy
  J. Phys. Chem. A, 128 (2024), 3830-3839.
• J. Märsch, S. Reiter, T. Rittner, R. E. Rodriguez-Lugo, M. Whitfield, D. J. Scott, R. J. Kutta, P. Nuernberger, R. de Vivie-Riedle, and R. Wolf
  Cobalt-Mediated Photochemical C-H Arylation of Pyrroles
  Angew. Chem. Int. Ed., 63 (2024), e202405780.

2023 (top of page)

• L. Bäuml, F. Rott, T. Schnappinger, and R. de Vivie-Riedle
  Following the Nonadiabatic Ultrafast Dynamics of Uracil via Simulated X-ray Absorption Spectra
  J. Phys. Chem. A. 127 (2023), 9787-9796.

• S. Reiter, F. Kiss, J. Hauer, and R. de Vivie-Riedle
  Thermal site energy fluctuations in photosystem I: New insights from MD/QM/MM calculations
  Chem. Sci. 14 (2023), 3117-3131.

2022 (top of page)

• S. Reiter, L. Bäuml, J. Hauer, and R. de Vivie-Riedle
  Q-Band Relaxation in Chlorophyll: New Insights from Multireference Quantum Dynamics
  Phys. Chem. Chem. Phys. 24 (2022), 27212-27223.
• D. P. Schwinger, M. T. Peschel, T. Rigotti, P. Kabaciński, T. Knoll, E. Thyrhaug, G. Cerullo, J. Hauer, R. de Vivie-Riedle, and T. Bach
  Photoinduced B-Cl Bond Fission in Aldehyde-BCl3 Complexes as a Mechanistic Scenario for C-H Bond Activation
  J. Am. Chem. Soc. 144 (2022), 18927-18937.
• M. T. Peschel, M. Högner, T. Buberl, D. Keefer, R. de Vivie-Riedle, and I. Pupeza
  Sub-optical-cycle light-matter energy transfer in molecular vibrational spectroscopy
  Nat. Commun. 13 Article number: 5897 (2022).
• N. Jeremias, M. T. Peschel, C. Jaschke, R. de Vivie-Riedle, and T. Bach
  Photochemical Ring Contraction of 5,5-Dialkylcyclopent-2-enones and in situ Trapping by Primary Amines
  J. Org. Chem., 88 (2022), 6294-6303.
• D. P. Schwinger, M. T. Peschel, C. Jaschke, C. Jandl, R. de Vivie-Riedle, and T. Bach
  Diels-Alder Reaction of Photochemically Generated (E)-Cyclohept-2-enones: Diene Scope, Reaction Pathway, and Synthetic Application
  J. Org. Chem. 87 (2022), 4838-4851.

2021 (top of page)

• G. C. Tok, S. Reiter, A. T. S. Freiberg, L. Reinschlüssel, H. A. Gasteiger, R. de Vivie-Riedle, and C. R. Hess
  H₂ Evolution from Electrocatalysts with Redox-Active Ligands: Mechanistic Insights from Theory and Experiment vis-à-vis Co-Mabiq
  Inorg. Chem. 60 (2021), 13888-13902.
• X. Tian, T. A. Karl, S. Reiter, S. Yakubov, R. de Vivie-Riedle, B. Koenig, and J. P. Barham
  Electro-mediated PhotoRedox Catalysis for Selective C(sp3)-O Cleavages of Phosphinated Alcohols to Carbanions
  Angew. Chem., Int. Ed. 60 (2021), 20817-20825.
• F. Rott, M. Reduzzi, T. Schnappinger, Y. Kobayashi, K. F. Chang, H. Timmers, D. M. Neumark, R. de Vivie-Riedle, and S. R. Leone
  Ultrafast strong-field dissociation of vinyl bromide: An attosecond transient absorption spectroscopy and non-adiabatic molecular dynamics study
  Struct. Dyn., 8 (2021), 034104.
• K. Stallhofer, M. Nuber, F. Schüppel, S. Thumser, H. Iglev, R. de Vivie-Riedle, W. Zinth, and H. Dube
  Electronic and Geometric Characterization of TICT Formation in Hemithioindigo Photoswitches by Picosecond Infrared Spectroscopy
  J. Phys. Chem. A 125 (2021), 4390-4400.
• L. Bäuml, T. Schnappinger, M. F. Kling, and R. de Vivie-Riedle
  Photo-induced coupled nuclear and electron dynamics in the nucleobase uracil
  Front. Phys., 9 (2021), 674573.
• T. Schnappinger, and R. de Vivie-Riedle
  Coupled nuclear and electron dynamics in the vicinity of a conical intersection
  J. Chem. Phys. 154 (2021), 134306.
• M. Peschel, P. Kabacinski, D. P. Schwinger, E. Thyrhaug, G. Cerullo, T. Bach, J. Hauer, and R. de Vivie-Riedle
  Activation of 2-Cyclohexenone by BF3 Coordination: Mechanistic Insights from Theory and Experiment
  Angew. Chem. Int. Ed. 60 (2021), 10155-10163.

2020 (top of page)

• F. Schüppel, T. Schnappinger, L. Bäuml, and R. de Vivie-Riedle
  Waveform control of molecular dynamics close to a conical intersection
  J. Chem. Phys. 153 (2020), 224307.
• S. Reiter, D. Keefer and R. de Vivie-Riedle
  Exact quantum dynamics (wavepackets) in reduced dimensionality
  in: Quantum Chemistry and Dynamics of Excited States: Methods and Applications, L. González and R. Lindh (Eds.), Wiley, 2020, 357-382 (ISBN: 978-1-119-41775-0).
• V. Piccinni, S. Reiter, D. Keefer, and R. de Vivie-Riedle
  Multiscale Conformational Sampling Reveals Excited State Locality in DNA Self-Repair Mechanism
  J. Phys. Chem. A 124 (2020), 9133-9140.

• D. Keefer, T. Schnappinger, R. de Vivie-Riedle, and S. Mukamel
  Visualizing conical intersection passages via vibronic coherence maps generated by stimulated ultrafast X-ray Raman signals
  Proc. Natl. Acad. Sci. U.S.A. 117 (2020), 24069-24075.
• S. Felicetti, J. Fregoni, T. Schnappinger, S. Reiter, R. de Vivie-Riedle, and J. Feist
  Photoprotecting Uracil by Coupling with Lossy Nanocavities
  J. Phys. Chem. Lett. 11 (2020), 8810-8818.
• J. Skotnitzki, A. Kremsmair, D. Keefer, F. Schüppel, B. L. C. de Bonneville, R. de Vivie-Riedle, and P. Knochel
  Regio- and diastereoselective reactions of chiral secondary alkylcopper reagents with propargylic phosphates: preparation of chiral allenes
  Chem. Sci. 11 (2020), 5328-5332.

2019 (top of page)

• J. Skotnitzki, A. Kremsmair, D. Keefer, Y. Gong, R. de Vivie-Riedle, and P. Knochel
  Stereoselective Csp3-Csp2 Cross-Couplings of Chiral Secondary Alkylzinc Reagents with Alkenyl and Aryl Halides
  Angew. Chem. Int. Ed. 59 (2019), 320-324.
• S. Reiter, T. Schnappinger and R. de Vivie-Riedle
  Using an Autoencoder for Dimensionality Reduction in Quantum Dynamics
  in: Artificial Neural Networks and Machine Learning - ICANN 2019: Workshop and Special Sessions,
  I. V. Tetko, V. Kůrková, P. Karpov and F. Theis (Eds.)
  Lecture Notes in Computer Science 11731 (Springer International Publishing, 2019), 783-787.
• D. Keefer, and R. Vivie-Riedle
  Theoretical Quantum Control of Fluctuating Molecular Energy Levels in Complex Chemical Environments
  Adv. Quantum Technol. 2 (2019), 1800099.
• S. Reiter, M. K. Roos, and R. de Vivie-Riedle
  Excited State Conformations of Bridged and Unbridged Pyrene Excimers
  ChemPhotoChem 3 (2019), 881-888.
• T. Schnappinger, C. Burger, A. Atia-Tul-Noor, H. Xu, P. Rosenberger, N. Harem, R. Moshammer, R. T. Sang, B. Bergues, M. S. Schuurman, I. Litvinyuk, M. F. Kling, and R. de Vivie-Riedle
  Simulation of time-dependent ionization processes in acetylene
  Ultrafast Phenomena XXI, G. Cerullo, J. Ogilvie, F. Kärtner, M. Khalil and R. Li (Eds.)
  EPJ Web Conf. 205 (2019), 09023.
• D. Keefer, S. Reiter, and R. de Vivie-Riedle
  Ultrafast Photorelaxation of Uracil Embedded in an RNA Strand
  Ultrafast Phenomena XXI, G. Cerullo, J. Ogilvie, F. Kärtner, M. Khalil and R. Li (Eds.)
  EPJ Web Conf. 205 (2019), 10002.
• S. Reiter, D. Keefer, V. Besel, and R. de Vivie-Riedle
  UV-induced DNA self-repair mechanism traced with quantum chemistry
  Ultrafast Phenomena XXI, G. Cerullo, J. Ogilvie, F. Kärtner, M. Khalil and R. Li (Eds.)
  EPJ Web Conf. 205 (2019), 09024.
• M. Schildhauer, F. Rott, S. Thumser, P. Mayer, R. de Vivie-Riedle, and H. Dube
  A prospective ultrafast hemithioindigo molecular motor
  ChemPhotoChem 3 (2019), 365-371.
• S. Reiter, D. Keefer, and R. de Vivie-Riedle
  Einfluss von UV-Strahlung auf das Erbgut - RNA-Strang beeinträchtigt Photostabilität von Uracil
  GIT Labor-Fachzeitschrift 63 (2019), 28-30.

2018 (top of page)

• A. T. S. Freiberg, M. K. Roos, J. Wandt, R. de Vivie-Riedle, and H. A. Gasteiger
  Singlet Oxygen Reactivity with Carbonate Solvents Used for Li-Ion Battery Electrolytes
  J. Phys. Chem. A 122 (2018), 8828-8839.
• A. Bhattacherjee, K. Schnorr, S. Oesterling, Z. Yang, T. Xue, R. de Vivie-Riedle, and S. R. Leone
  Photoinduced Heterocyclic Ring Opening of Furfural: Distinct Open-Chain Product Identification by Ultrafast X-ray Transient Absorption Spectroscopy
  J. Am. Chem. Soc. 140 (2018), 12538-12544.
• D. Keefer, and R. de Vivie-Riedle
  Pathways to New Applications for Quantum Control
  Acc. Chem. Res. 51 (2018), 2279-2286.
• C. Burger, A. Atia-Tul-Noor, T. Schnappinger, H. Xu, P. Rosenberger, N. Haram, S. Beaulieu, F. Légaré, A. S. Alnaser, R. Moshammer, R. T. Sang, B. Bergues, M. S. Schuurman, R. de Vivie-Riedle, I. V. Litvinyuk, and M. F. Kling
  Time-resolved nuclear dynamics in bound and dissociating acetylene
  Struct. Dyn. 5 (2018), 044302.
• F. Schüppel, M. Roos, and R. de Vivie-Riedle
  Ultrafast non-adiabatic dynamics of excited diphenylmethyl bromide elucidated by quantum dynamics and semi-classical on-the-fly dynamics
  Phys. Chem. Chem. Phys. 20 (2018), 22753-22761.
• T. Schnappinger, M. Marazzi, S. Mai, A. Monari, L. González, and R. de Vivie-Riedle
  Intersystem crossing as a key component of the non-adiabatic relaxation dynamics of bithiophene and terthiophene
  J. Chem. Theory Comput. 14 (2018), 4530-4540.

• M. K. Roos, S. Reiter, and R. de Vivie-Riedle
  Ultrafast relaxation from ¹L_a to ¹L_b in pyrene: a theoretical study
  Chem. Phys. 515 (2018), 586-595.
• F. F. Graupner, T. T. Herzog, F. Rott, S. Oesterling, R. de Vivie-Riedle, T. Cordes, and W. Zinth
  Photoisomerization of Hemithioindigo compounds: Combining Solvent- and Substituent Effects into an Advanced Reaction Model
  Chem. Phys. 515 (2018), 614-621.
• S. Reiter, D. Keefer, and R. de Vivie-Riedle
  RNA Environment is Responsible for Decreased Photostability of Uracil
  J. Am. Chem. Soc. 140 (2018), 8714-8720.
• A. N. Baumann, F. Schüppel, M. Eisold, A. Kreppel, R. de Vivie-Riedle, and D. Didier
  Oxidative Ring Contraction of Cyclobutenes – General Approach to Cyclopropylketones Including Mechanistic Insights
  J. Org. Chem. 83 (2018), 4905-4921.
• R. Wilcken, M. Schildhauer, F. Rott, L. A. Huber, M. Guentner, S. Thumser, K. Hoffmann, S. Oesterling, R. de Vivie-Riedle, E. Riedle, and H. Dube
  Complete Mechanism of Hemithioindigo Motor Rotation
  J. Am. Chem. Soc. 140 (2018), 5311-5318.
• J. P. P. Zauleck, M. T. Peschel, F. Rott, S. Thallmair, and R. de Vivie-Riedle
  Ultrafast Reactive Quantum Dynamics Coupled to Classical Solvent Dynamics Using an Ehrenfest Approach
  J. Phys. Chem. A 122 (2018), 2849-2857.
• J. P. P. Zauleck, and R. de Vivie-Riedle
  Constructing Grids for Molecular Quantum Dynamics Using an Autoencoder
  J. Chem. Theory Comput. 14 (2018), 55-62.

2017 (top of page)

• J. P. P. Zauleck, S. Thallmair, and R. de Vivie-Riedle
  Revisiting an approximation in the Wilson G-matrix formalism and its impact on molecular quantum dynamics
  arXiv:1712.10170 [physics.chem-ph].
• T. Schnappinger, P. Kölle, M. Marazzi, A. Monari, L. González, 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, N. 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, N. 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)

• R. Siemering, O. Njoya, T. Weinacht, and R. de Vivie-Riedle
  Field-dressed orbitals in strong-field molecular ionization
  Phys. Rev. A 92 (2015), 042515.

• D. Keefer, S. Thallmair, J. P. P. Zauleck, and R. de Vivie-Riedle
  A multi target approach to control chemical reactions in their inhomogeneous solvent environment
  J. Phys. B: At. Mol. Opt. Phys. 48 (2015), 234003.
• P. Kölle, I. Pugliesi, H. Langhals, R. Wilcken, A. J. Esterbauer, R. de Vivie-Riedle, and E. Riedle
  Hole-transfer induced energy transfer in perylene diimide dyads with a donor-spacer-acceptor motif
  Phys. Chem. Chem. Phys. 17 (2015), 25061-25072.
• P. Kölle, D. Stichnoth, E. Riedle, D. Trauner, and R. de Vivie-Riedle
  Photochemische Synthese von Intricaren
  GIT Labor-Fachzeitschrift 59 (2015), 45-47.
• S. Thallmair, J. P. P. Zauleck, and R. de Vivie-Riedle
  Quantum dynamics in an explicit solvent environment:
  A photochemical bond cleavage treated with a combined QD/MD approach
  J. Chem. Theory Comput. 11 (2015), 1987-1995.
• E. Samoylova, B. März, S. Wiedbrauk, S. Oesterling, A. Nenov, H. Dube, R. de Vivie-Riedle, and W. Zinth
  Tuning of isomerization rates in indigo-based photoswitches
  in: Ultrafast Phenomena XIX, K. Yamanouchi, S. Cundiff, R. de Vivie-Riedle, M. Kuwata-Gonokami, L. DiMauro (Eds.), Springer Proceedings in Physics 162 (Springer International Publishing, 2015), 391-394.
• S. Thallmair, J. P. P. Zauleck, and R. de Vivie-Riedle
  Quantum dynamics of molecular reactions directed by explicit solvent environment
  in: Ultrafast Phenomena XIX, K. Yamanouchi, S. Cundiff, R. de Vivie-Riedle, M. Kuwata-Gonokami, L. DiMauro (Eds.), Springer Proceedings in Physics 162 (Springer International Publishing, 2015), 373-377.
• R. Siemering, M. Kübel, B. Bergues, A.S. Alnaser, M. Kling, and R. de Vivie-Riedle
  Sub-femtosecond steering of carbon hydrogen bonds
  in: Ultrafast Phenomena XIX, K. Yamanouchi, S. Cundiff, R. de Vivie-Riedle, M. Kuwata-Gonokami, L. DiMauro (Eds.), Springer Proceedings in Physics 162 (Springer International Publishing, 2015), 126-129.

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 Conf. 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 Conf. 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 Conf. 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 Conf. 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 Conf. 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)

• Th. Witte, Th. Hornung, L. Windhorn, R. de Vivie-Riedle, D. Proch, M. Motzkus, and K.-L. Kompa
  Controlling molecular ground-state dissociation by optimal vibrational ladder climbing
  J. Chem. Phys. 118 (2003), 2021-2024.
• U. Troppmann, C. Tesch, and R. de Vivie-Riedle
  Preparation and addressability of molecular vibrational qubit states in the presence of anharmonic resonance
  Chem. Phys. Lett. 378 (2003), 273-280.
• D. Geppert, A. Hofmann, and R. de Vivie-Riedle
  Control of a collision complex via a conical intersection
  J. Chem. Phys. 119 (2003), 5901-5906.
• Th. Hornung and R. de Vivie-Riedle
  Molecular population control including rotation
  Europhysics Lett. 64 (2003), 703-708.
• R. de Vivie-Riedle, V. De Waele, L. Kurtz, and E. Riedle
  Ab initio investigation of structure and vibrational motions driving the excited state proton transfer of HBT
  J. Phys. Chem. A 107 (2003), 10591-10599.

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)

• K. Sundermann and R. de Vivie-Riedle
  Extensions to quantum optimal control algorithms and applications to special problems in state selective molecular dynamics
  J. Chem. Phys. 110 (1999), 1896-1904.
• R. de Vivie-Riedle, K. Sundermann, and Marcus Motzkus
  Laser control strategies for energy transfer reactions in atom molecule collisions
  Faraday Discuss. 113 (1999), 303.
• P. Anfinrud, R. de Vivie-Riedle and V. Engel
  Ultrafast detection and control of molecular dynamics
  Proc. Natl. Acad. Sci. USA 96 (1999), 8328.

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,²P_1/2 ← ²P_3/2): 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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