1969-1979   1980-1985   1986-1989   1990-1995   1996-1999   2000-2005   2006-2009   2010-2015   SFB 450 


  1. L. Lehr and W. H. Miller: A Classical Approach to Dissociative Electron Attachment DA: Application to Temperature Effects in the DA Cross Section of CF3Cl, Chem. Phys. Letters 250, 515-522 (1996)

  2. 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 Organo-Metallic Molecules, Clusters and Adsorbates at Surfaces, Int. J. Quant. Chem. 57, 595-609 (1996)

  3. R. de Vivie-Riedle, J. Gaus, V. Bonačić-Koutecký, J. Manz, B. Reischl, S. Rutz, E. Schreiber and L. Wöste: Pulse Width Controlled Molecular Dynamics: Symmetric Stretch Versus Pseudorotations in Na3(B), in "Femtosecond Chemistry and Physics of Ultrafast Processes", 319-325, ed.: M. Chergui (World Scientific, Singapore, 1996)

  4. 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, 7789-7796 (1996)

  5. J. S. Briggs, E. Kades, J. Manz, J. M. Rost, C. Schlier and A. Seiter: A New Isotope Effect on Vibrational States: From Hyperspherical Modes of H2O to Hyperellipsoidal Modes of HOT, in Festschrift H. Baumgärtel, Z. Phys. Chem. 195, 65-88 (1996)

  6. G. K. Paramonov: Selective Preparation of the Zero-order Vibrational States in the HOD Molecule by Ultrashort Infrared Laser Pulses, Chem. Phys. Lett. 250, 505-514 (1996)

  7. K. Finger, C. Daniel, P. Saalfrank and B. Schmidt: Non-adiabatic Effects in the Photodissociation and Electronic Spectroscopy of HMn(CO)3(dab): Quantum Wavepacket dynamics Based on Ab-initio Potentials, J. Phys. Chem. 100, 3368-3376 (1996)

  8. R. S. Berry, B. Meißner and B. Schmidt: Cluster Growth from the Gas Phase: Associative Collisions of Small Alkali Halide Aggregates, Z. Phys. Chem. 195, 237-251 (1996)

  9. M. V. Korolkov, G. K. Paramonov and B. Schmidt: State Selective Control of Vibrational Excitation and Dissociation of Diatomic Molecules with Shaped Ultrashort Laser Pulses, J. Chem. Phys. 105, 1862-1879 (1996)

  10. B. Schmidt, P. Jungwirth and R. B. Gerber: Quantum Dynamics of the Photodissociation of Hydrogen Halides in Rare Gas Matrices. I. The Initial State, in "Ultrafast Chemical and Physical Processes in Molecular Systems", 637-640, ed.: M. Chergui (World Scientific, Singapore, 1996)

  11. B. Schmidt and P. Jungwirth: Vibrational Line Shifts of Hydrogen Halides in a Rare Gas Environment: HF/DF and HCl/DCl in Ar Matrices and Clusters, Chem. Phys. Lett. 259, 62-68 (1996)

  12. P. Nettesheim, F. A. Bornemann, B. Schmidt and C. Schütte: An Explicit and Symplectic Integrator for Quantum-Classical Molecular Dynamics, Chem. Phys. Lett. 256, 581-588 (1996)

  13. C. Scheurer and P. Saalfrank: Hydrogen Transfer in Vibrationally Relaxing Benzoic Acid Dimers: Time-Dependent Density Matrix Dynamics and Infrared Spectra, J. Chem. Phys. 104, 2869-2882 (1996)

  14. E. Hasselbrink, M. Wolf, S. Holloway and P. Saalfrank: Classical and Quantum-Mechanical Modeling of the Stimulated Desorption of Ammonia from Cu(III), Surf. Sci. 363, 179-184 (1996)

  15. P. Saalfrank: Stochastic Wavepacket vs. Direct Density Matrix Solution of Liouville-von Neumann Equations for Photodesorption Problems, Chem. Phys. 211, 265-276 (1996)

  16. P. Saalfrank and R. Kosloff: Bond Breaking in a Dissipative Environment: Indirectly and Directly Induced Photodesorption of Neutrals from Metals, J. Chem. Physics 105, 2441-2455 (1996)

  17. M. V. Korolkov, Y. A. Logvin and G. K. Paramonov: Laser Control of Ultrafast State-Selective Preparation of OH at High Vibrational Levels, J. Phys. Chem. 100, 8070-8078 (1996)

  18. S. Rutz, R. de Vivie-Riedle and E. Schreiber: Femtosecond Wavepacket Propagation in Spin-Orbit-Coupled Electronic States of 39,39K2 and 39,41K2, Phys. Rev.A 54, 306-313 (1996)

  19. B. Reischl, R. de Vivie-Riedle, S. Rutz and E. Schreiber: Ultrafast Molecular Dynamics Controlled by Pulse Duration: The Na3 Molecule, J. Chem. Phys. 104, 8857-8864 (1996)

  20. M. V. Korolkov, J. Manz, G. K. Paramonov and B. Schmidt: Vibrationally State Selective Photoassociation by Infrared Sub-Picosecond Laser Pulses: Model Simulations for O+H → OH(v), Chem. Phys. Letters 260, 604-610 (1996)

  21. M. V. Korolkov, J. Manz and G. K. Paramonov: State-Selective Control for Dissipative Vibrational Dynamics of HOD by Shaped Ultrashort Infrared Laser Pulses, J. Phys. Chem. 100, 13927-13940 (1996)

  22. M. V. Korolkov, J. Manz and G. K. Paramonov: Theory of Ultrafast Laser Control of Isomerization Reactions in an Environment: Picosecond Cope Rearrangement of Substituted Semibullvalenes, J. Chem. Phys. 105, 10874-10889 (1996)

  23. L. Lehr, J. Manz and W. H. Miller: A Classical Approach to Resonant Low Energy Electron Scattering off Molecules: Application to the a1-Shape Resonance of CF3Cl, Chem. Phys. 214, 301-312 (1997)

  24. J. Manz, P. Saalfrank and B. Schmidt: Quantum Dynamical Aspects of Rotationally and Vibrationally Mediated Photochemistry in Matrices and at Surfaces: HCl/DCl in Ar, and NH3/ND3 at Cu (111), J. Chem. Soc., Faraday Transactions 93, 957-967 (1997)

  25. J. Giraud-Girard, J. Manz and C. Scheurer: Twist Dynamics of 9-(N-Carbazolyl)-Anthracene: Effects of Intramolecular Vibrational Redistribution on Non-Adiabatic Transitions in Coupled Bright and Dark States, Z. Phys. D, Atoms, Molecules and Clusters 39, 291-299 (1997)

  26. R. S. Berry, V. Bonačić-Koutecký, J. Gaus, T. Leisner, J. Manz, B. Reischl-Lenz, H. Ruppe, S. Rutz, E. Schreiber, S. Vajda, R. de Vivie-Riedle, S. Wolf and L. Wöste: Size Dependent Ultrafast Relaxation Phenomena in Metal Clusters, Adv. Chem. Phys. 101, 101-132 (1997)

  27. a) R. d. Vivie-Riedle, J. Manz, B. Reischl-Lenz and L. Wöste: Comment on Pseudo-Rotation of Na3(B), in "Adv. Chem. Phys.", Vol.: 101, 132-137 (1997)

  28. M. V. Korolkov, J. Manz and G. K. Paramonov: Theory of Laser Control of Vibrational Transitions and Chemical Reactions by Ultrashort Infrared Laser Pulses, Adv. Chem. Phys. 101, 327-343 (1997)

  29. a) P. Backhaus, J. Manz and B. Schmidt: Comment on Femtosecond Chemistry of Bimolecular Reactions from van der Waals Precursors versus Collision Pairs in: "Chemical Reactions and their Control on the Femtosecond Time Scale, 2 Hg ->.Hg2*. XXth Solvay Conference on Chemistry" (eds. P. Gaspard, I. Burghardt, I. Prigogine, S. A. Rice), Adv. Chem. Phys. 101, 86-89 (1997)

  30. b) R. de Vivie-Riedle, J. Manz, B. Reischl-Lenz and L. Wöste: Comment on Coherent Vibrations Versus Intramolecular Vibrational Redistribution Observed by fs-, ps- and cw-Spectroscopy of Na3(B), Adv. Chem. Phys. 101, 132-137 (1997)

  31. c) R. de Vivie-Riedle and J. Manz: Comment on Femtosecond Spectroscopy of Hole Burning in Vibrational Wavepackets, Adv. Chem. Phys. 101, 196-198 (1997)

  32. d) M. V. Korolkov, J. Manz and G. K. Paramonov: Comment on the Keldish Limit to Photoionization by Intense fs IR Laser Pulses for Control of Chemical Reactions, Adv. Chem. Phys. 101, 374-377 (1997)

  33. M. V. Korolkov, J. Manz and G. K. Paramonov: Theory of Ultrafast Laser Control for State-Selective Dynamics of Diatomic Molecules in the Ground Electronic State: Vibrational Excitation, Dissociation, Spatial Squeezing and Association, Chem. Phys. 217, 341-374 (1997)

  34. R. de Vivie-Riedle, J. Gaus, V. Bonačić-Koutecký, J. Manz, B. Reischl-Lenz and P. Saalfrank: Theoretical Study of the Absorption Spectrum of the Pseudorotating Na3(B), Chem. Phys. 223, 1-14 (1997)

  35. M. V. Korolkov and G. K. Paramonov: State-Selective Vibrational Excitation of Diatomic Molecules coupled to a Quasiresonant Environment: Markov Approximation and Non-Markov Approach, Phys. Rev. A 55, 589-604 (1997)

  36. K. H. Bornscheuer, W. Nessler, M. Binetti, E. Hasselbrink and P. Saalfrank: Isotope and Quantum Effects in Vibrational State Distributions of Photosorbed Ammonia, Phys. Rev. Lett. 78, 1174-1177 (1997)

  37. 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, 299-308 (1997)

  38. L. Pesce and P. Saalfrank: "Free" Nuclear Density Propagation in two Dimensions: The Coupled Channel Density Matrix Method and its Application to Molecule-Surface Scattering, Chem. Phys. 219, 43-54 (1997)

  39. M. Chachisvilis, O. Kühn, T. Pullerits and V. Sundström: Excitons in Photosynthetic Purple Bacteria: Wavelike Motion or Incoherent Hopping?, J. Phys. Chem. B. 101, 7275-7283 (1997)

  40. O. Kühn and V. Sundström: Pump-Probe Spectroscopy of Dissociative Energy Transfer Dynamics in Photosynthetic Antenna Complexes: A Density Matrix Approach, J. Chem. Phys. 107, 4154-4164 (1997)

  41. O. Kühn, T. Renger, V. May, J. Voigt, T. Pullerits and V. Sundström: Exciton-Vibrational Coupling in Photosynthetic Antenna Complexes: Theory Meets Experiment, Trends in Photochem. and Photobiol. 4, 213-256 (1997)

  42. S. Schulz and R. de Vivie-Riedle: A Practical Approach to Multivariate Interpolation, Comp. in Physics 11, 647-659 (1997)

  43. M. C. Heitz, K. Finger and C. Daniel: Photochemistry of Organometallics: Quantum Chemistry and Photodissociation Dynamics, Coord. Chem. Rev. 159, 171-193 (1997)

  44. J. Manz: Molecular Wavepacket Dynamics: Theory for Experiments 1926-1996, in "Femtochemistry and Femtobiology: Ultrafast Reaction Dynamics at Atomic Scale Resolution, Nobel Symposium", Vol.: 101, 80-318, ed.: V. Sundström (Imperial College Press, London, 1997)

  45. H. H. Limbach and J. Manz: Hydrogen Transfer: Experiment and Theory, Ber. Bunsenges. Phys. Chem. 102, 289-592 (Editorial) (1998)

  46. O. Brackhagen, C. Scheurer, R. Meyer and H. H. Limbach: Hydrogen Transfer in the Porphin Anion: A Quantum Dynamical Study of Vibrational Effects, Ber. Bunsenges. Phys. Chem. 102, 303-316 (1998)

  47. M. Dohle, P. Saalfrank and T. Uzer: The Dissociation of Diatomic Molecules on Vibrating Surfaces: A Semiclassical Generalized Langevin Approach, J. Chem. Phys. 108, 4226-4236 (1998)

  48. N. Došlić, O. Kühn and J. Manz: Infrared Laser Pulse Controlled Ultrafast H-Atom Switching in Two-Dimensional Asymmetric Double Well Potentials, Ber. Bunsenges. Phys. Chem. 102, 292-297 (1998)

  49. P. Backhaus, J. Manz and B. Schmidt: Effect of Rotations and Shape Resonances on Photoassociation and Photoacceleration by Short Infrared Laser Pulses, Phys. Chem. A. 102, 4118-4128 (1998)

  50. M. Oppel and G. K. Paramonov: Ultrafast Laser Control of Vibrational Dynamics for a Two-Dimensional Model of HONO2 in the Ground Electronic State: Separation of Conformers, Control of the Bond Length, Selective Preparation of the Discrete and Continuum States, Chem. Phys. 232, 111-130 (1998)

  51. J. Manz, M. Oppel and G. K. Paramonov: Quasi-Coherent Molecular Vibrations with Energies above the Dissociation Threshold in the Ground Electronic State, J. Phys. Chem. A. 102, 4271-4276 (1998)

  52. J. Manz, K. Sundermann and R. de Vivie-Riedle: Quantum Optimal Control Strategies for Photoisomerization via Electronically Excited States, Chem. Phys. Lett. 290, 415-422 (1998)

  53. R. de Vivie-Riedle, J. Manz and K. Sundermann: Optimal Laser Control for Photoisomerization, in "Ultrafast Phenomena XI", 465-467, eds.: T. Elsaesser, J. G. Fujimoto, D. A. Wiersma and W. Zinth (Springer Verlag, Berlin, 1998)

  54. D. Guillaumont, K. Finger, M. R. Hachey and C. Daniel: Metal-to-Ligand-Transfer Photochemistry: Quantum Chemistry and Dynamics of the Systems RM(CO)3(dab) (M=Mn, R=H, Methyl, Ethyl, M=Re, R=H, dab=1-4 diaza-1,3-butadiene, Coord. Chem. Rev. 171, 439-459 (1998)

  55. M. C. Heitz, K. Finger, D. Guillaumont and C. Daniel: Photodissociation Dynamics of Transition Metal Complexes: Quantum Simulation Supported by Wavepacket Propagations, in "Selective Reactions of Metal Activated Molecules", 301-305, ed.: H. Werner (Vieweg, Braunschweig, 1998)

  56. M. Dohle, P. Saalfrank and T. Uzer: The Dissociative Sticking of Diatomics Molecules on Cold, Non-Rigid Surfaces: Comparison of Quantal and Semiclassical Surface Oscillator Models, Surf. Sci. 409, 37-45 (1998)

  57. M. V. Korolkov and G. K. Paramonov: Vibrationally State-Selective Electronic Excitation of Diatomic Molecules by Ultrashort Laser Pulses, Phys. Rev. A 57, 4998-5000 (1998)

  58. T. Klamroth and P. Saalfrank: A Tight-Binding Green's Function Approach to Adsorbate Electronic Ground and Excited States and Their Lifetimes, Surf. Sci. 410, 21-38 (1998)

  59. L. Pesce and P. Saalfrank: The Coupled Channel Density Matrix Method for Open Quantum Systems: Formulation, and Application to the Vibrational Relaxation of Molecules Scattering from Non-Rigid Surfaces, J. Chem. Phys. 108, 3045-3056 (1998)

  60. B. Schmidt: Comment on Photodissociation of HCl in HClArn Clusters, in: ﾓDynamics of Electronically Excited States in Gaseous, Cluster and Condensed Media, Faraday Disc. 108, 331-333 (1998)

  61. N. Došlić, O. Kühn, J. Manz and K. Sundermann: The "Hydrogen-Subway" - A Tunneling Approach to Intramolecular Hydrogen Transfer Reactions Controlled by Ultrashort Laser Pulses, J. Phys. Chem. A. 102, 9645-9650 (1998)

  62. G. Böndgen and P. Saalfrank: STM-Induced Desorption of Hydrogen from a Silicon Surface: An Open-System Density Matrix Study, J. Phys. Chem. 102, 8029-8035 (1998)

  63. W. Huisinga, L. Pesce, R. Kosloff and P. Saalfrank: Faber and Newton Polynomial Integrators for Open-System Density Matrix Propagation, J. Chem. Phys 110, 5538-5547 (1998)

  64. I. Andrianov and G. K. Paramonov: Selective Excitation of the Vibrational-Rotational States and Dissociation of Diatomic Molecules by Picosecond Infrared Laser Pulses, Phys. Rev. A. 59, 2134-2138 (1999)

  65. N. Došlić, K. Sundermann, L. González, O. Mó, J. Giraud-Girard and O. Kühn: Ultrafast Photoinduced Dissipative Hydrogen Switching Dynamics in Thioacetylacetone, Phys. Chem. Chem. Phys. 1, 1249-1257 (1999)

  66. Y. Zhao and O. Kühn: Selective Infrared Laser Pulse Control of H and CO Branching in the Ground State Photodissociation of HCo(CO)4: A Two-Dimensional Model Simulation, Chem. Phys. Letters 302, 7-14 (1999)

  67. B. Schmidt: Quantum Dynamics of HF Photodissociation in Icosahedral Ar12HF Clusters: Rotational Control of the Hydrogen Atom Cage Exit, Chem. Phys. Letters 301, 207-216 (1999)

  68. H. Naundorf, J. A. Organero, A. Douhal and O. Kühn: Potential Energy Surface for the Proton Transfer in 8-Hydroxyimidazo[1,2-a] pyridine, J. Chem. Phys. 110, 11286-11292 (1999)

  69. O. Kühn: Laser Control of Intramolecular Hydrogen Transfer Reactions: A Real-Time Path Integral Approach, Eur. Phys. J. D. 6, 49-55 (1999)

  70. A. E. Orel and O. Kühn: Cartesian Reaction Surface Analysis of the CH2I2 Ground State Isomerization, Chem. Phys. Letters 304, 285-292 (1999)

  71. P. Backhaus, B. Schmidt and M. Dantus: Control of Photoassociations Yield: A Quantum Dynamical Study of the Mercury System to Explore the Role of Pulse Duration from Nanoseconds to Femtoseconds, Chem. Phys. Letters 306, 18-24 (1999)

  72. H. Naundorf, K. Sundermann and O. Kühn: Laser Driven Hydrogen Tunneling in a Dissipative Environment, Chem. Phys. 240, 163-172 (1999)

  73. P. Backhaus, B. Schmidt and M. Dantus: Control of Photoassociation Yield: a Quantum-Dynamical Study of the Mercury System to Explore the Role of Pulse Duration from Nanoseconds to Femtoseconds, Chem. Phys. Letters 306, 18-24 (1999)

  74. O. Kühn, J. Manz and Y. Zhao: Ultrafast IR Laser Control of Photodissociation: Single- versus Multi-pulse Schemes, Phys. Chem. Chem. Phys. 1, 3103-3110 (1999)

  75. Y. Fujimura, L. González, K. Hoki, J. Manz and Y. Ohtsuki: Selective Preparation of Enantiomers by Laser Pulses: Quantum Model Simulation for H2POSH, Corrigendum ibid, Chem. Phys. Letters 310, 1-8; 578-579 (1999)

  76. G. K. Paramonov and P. Saalfrank: A New Pump and Dump Strategy to Control Chemical Reactivity at Surfaces: Application to Photoisomerization of Adsorbates, Chem. Phys. Letters 301, 509-516 (1999)

  77. G. K. Paramonov and P. Saalfrank: Infrared-Laser Driven Vibrational Excitation of Relaxing Adsorbates: Quantum Dynamical Aspects, J. Chem. Phys. 110, 6500-6510 (1999)

  78. O. Kühn and N. Makri: Forward-Backward Semiclassical Calculation of Spectral Lineshapes: I2 in a Rare Gas Cluster, J. Phys. Chem. A. 103, 9487-9493 (1999)

  79. M. Oppel and G. K. Paramonov: Infrared-Laser Control of Vibrational State Redistribution During Molecular Dissociation: The Time-Dependent Flux Method in Model Simulations for HONO2 in the Excited Electronic State, Phys. Rev. A 60, 3663-3666 (1999)

  80. M. Oppel and G. K. Paramonov: Selective Vibronic Excitation and Bond Breaking by Picosecond UV and IR Laser Pulses: Application to a Two-Dimensional Model of HONO2, Chem. Phys. Letters 313, 332-340 (1999)

  81. 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, 1896-1904 (1999)

  82. M. Oppel and G. K. Paramonov: Picosecond Laser Control of Bond-Selective Dissociation and Clockwise and Anticlockwise Rotation of the Dissociation Fragments: Application to a Three-Dimensional Model of HONO2 in the Ground Electronic State, Chem. Phys. 250, 131-143 (1999)

  83. H. Naundorf, A. E. Orel, Y. Zhao and O. Kühn: Comment on Stereochemistry and Control in Molecular Reaction Dynamics, Faraday Disc. 113, 356-358 (1999)
 
Rev.: 22-Feb-2010