Publications of Reinhard Schinke - ACS Publications - American

Sep 9, 2010 - energy surface. II. Combined vibrational-rotational excitation at 4.67 and 6 eV. 18. ..... ciation of Cl-CN: Comparison of classical and...
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Publications of Reinhard Schinke 1. R. Schinke and J. P. Toennies, J. Chem. Phys. 62, 4871-4879 (1975). Semiclassical calculations of vibrational energy transfer: Comparison of the harmonic and the Morse oscillator in collinear and perpendicular collisions with a structureless atom. 2. R. Schinke and H. Kru¨ger, J. Chem. Phys. 64, 2450-2455 (1976). Calculation of adiabatic radial and angular-momentum matrix elements using variational wave function for H2+. 3. R. Schinke and H. Kru¨ger, J. Phys. B 9, 2469-2478 (1976). Differential and integral cross sections for proton-hydrogen scattering. 4. R. Schinke, J. Chem. Phys. 65, 4849-4853 (1976). Impact parameter calculations for low energy H+ + H and H+ + D collisions. 5. H. Kru¨ger and R. Schinke, J. Chem. Phys. 66, 5087-5092 (1977). Impact parameter approach to threedimensional vibrationally inelastic ion (atom)-molecule collisions: Application to H+ + H2. 6. R. Schinke, Chem. Phys. 24, 379-389 (1977). Timedependent close coupling for vibrational excitation in three dimensions: Application to H+-H2. 7. R. Schinke, H. Kru¨ger, V. Hermann, H. Schmidt, and F. Linder, J. Chem. Phys. 67, 1187-1190 (1977). Vibrational excitation in H+-H2 collisions. Comparison between experiment and rotationally sudden impact parameter calculations. 8. R. Schinke and P. McGuire, Chem. Phys. 28, 129-145 (1978). On the sudden centrifugal potential in the spacefixed system. Dependence of proton-H2 cross sections on the choice of angular-momentum parameter. 9. R. Schinke and P. McGuire, Chem. Phys. 31, 391-412 (1978). Combined rotationally sudden and vibrationally exact quantum treatment of proton-H2 collisions. 10. R. Schinke, Chem. Phys. 34, 65-79 (1978). Theoretical studies of vib-rotational excitation in Li+-H2 collisions at intermediate energies. 11. J. Krutein, G. Bischof, F. Linder, and R. Schinke, J. Phys. B 12, L57-L60 (1979). Glory oscillations in inelastic forward scattering for H+-H2. 12. R. Schinke and W.A. Lester, Jr., J. Chem. Phys. 70, 4893-4902 (1979). Trajectory study of O + H2 reactions on fitted ab initio surfaces. I. Triplet case. 13. A. C. Luntz, R. Schinke, W. A. Lester, Jr., and Hs. H. Gnthard, J. Chem. Phys. 70, 5908-5909 (1979). Product state distributions in the reaction O(1D2) + H2 f OH + H: Comparison of experiment with theory. 14. R. Schinke and P. McGuire, J. Chem. Phys. 71, 4201-4205 (1979). Rotational rainbow oscillations in He-Na2 collisions: Comparison between coupled-state and infinite-order-sudden approximations. 15. R. Schinke and W.A. Lester, Jr., J. Chem. Phys. 72, 3754-3766 (1980). Trajectory study of O + H2 reactions on fitted ab initio surfaces. II. Singlet case. 16. R. Schinke, M. Dupuis, and W. A. Lester, Jr., J. Chem. Phys. 72, 3909-3915 (1980). Proton-H2 scattering on a new ab initio CI potential energy surface. I: Vibrational excitation at 10 eV.

17. R. Schinke, J. Chem. Phys. 72, 3916-3922 (1980). Proton-H2 scattering on a new ab initio CI potential energy surface. II. Combined vibrational-rotational excitation at 4.67 and 6 eV. 18. R. Schinke, J. Chem. Phys. 72, 1120-1127 (1980). Quantum effects in rotationally inelastic molecular scattering: K + N2 and K + CO collisions on simple model surfaces. 19. R. Schinke, Chem. Phys. 47, 287-294 (1980). Rotational rainbow maxima: A time-dependent study. 20. H. J. Korsch and R. Schinke, J. Chem. Phys. 73, 1222-1232 (1980). A uniform semiclassical sudden approximation for rotationally inelastic scattering. 21. R. Schinke, J. Chem. Phys. 73, 6117-6123 (1980). Inversion of rotationally inelastic cross sections under sudden conditions. 22. R. Schinke and H. J. Korsch, Chem. Phys. Lett. 74, 449-453 (1980). Differential cross sections for ∆m transitions in sudden atom-molecule collisions. 23. R. Schinke, W. Mu¨ller, W. Meyer, and P. McGuire, J. Chem. Phys. 74, 3916-3928 (1981). Theoretical investigation of rotational rainbow structures in X-Na2 collisions using CI potential surfaces. I. Rigid-rotor X ) He scattering and comparison with state-to-state experiments. 24. U. Hefter, P. L. Jones, A. Mattheus, J. Witt, K. Bergmann, and R. Schinke, Phys. ReV. Lett. 46, 915-918 (1981). Resolution of supernumerary rotational rainbows in Na2-Ne scattering. 25. W. Mller and R. Schinke, J. Chem. Phys. 75, 1219-1225 (1981). Theoretical investigation of rotational rainbow structures in X-Na2 collisions using CI potential surfaces. II. Combined rotational-vibrational excitation for X ) He scattering. 26. H. J. Korsch and R. Schinke, J. Chem. Phys. 75, 3850-3859 (1981). Rotational rainbows: An IOS study of rotational excitation of hard-shell molecules. 27. R. Schinke, J. Chem. Phys. 75, 5449-5455 (1981). Dynamical thresholds and quantum undulations in the energy dependence of rotationally inelastic integral cross sections. 28. R. Schinke, J. Chem. Phys. 75, 5205-5207 (1981). On the validity of the power gap model in the strong coupling case. 29. R. Schinke, W. Mu¨ller, and W. Meyer, J. Chem. Phys. 76, 895-912 (1982). Theoretical investigation of rotational rainbow structures in X-Na2 collisions using CI potential surfaces. III. Rigid-rotor X ) Ne scattering. 30. R. Schinke and J.M. Bowman, In Molecular Collision Dynamics; J. M. Bowman, Ed.; Springer: Berlin, Heidelberg, New York, 1983; pp 61-115. 31. R. Schinke, J. Chem. Phys. 76, 2352-2359 (1982). Rotational rainbows in diatom (solid) surface scattering. 32. R. Schinke, H. J. Korsch, and D. Poppe, J. Chem. Phys. 77, 6005-6020 (1982). Rainbows in rotationally inelastic scattering: A comparative study of different model potential surfaces and dynamical approximations.

10.1021/jp103494h  2010 American Chemical Society Published on Web 09/09/2010

J. Phys. Chem. A, Vol. 114, No. 36, 2010 9597 33. R. Schinke, Chem. Phys. Lett. 87, 438-442 (1982). Bound-level resonances in diatom-(rigid) surface scattering. 34. L. Zehnle, Th. Hall, R. Schinke, and V. Kempter, Z. Phys. A 304, 95-101 (1982). Mg+(3p) excitation in slow Mg+-Ar collisions: Some remarks concerning the mechanism for Mg+(3p) excitation. 35. P. L. Jones, U. Hefter, A. Mattheus, J. Witt, K. Bermann, W. Meyer, W. Mu¨ller, and R. Schinke, Phys. ReV. A 26, 1283-1301 (1982). Angularly resolved rotationally inelastic scattering of Na2-Ne: Comparison between experiment and theory. 36. P. Andresen, H. Joswig, H. Pauly, and R. Schinke, J. Chem. Phys. 77, 2204-2205 (1982). Resolution of interference effects in the rotational excitation of NO (N ) 0) by Ar. 37. U. Hefter, P. L. Jones, K. Bergmann, and R. Schinke, Ber. Bunsen-Ges., 86, 465-466 (1982). The anisotropy of the Na2-rare gas interaction from rotationally inelastic scattering. 38. R. Schinke and A. C. Luntz, Surf. Sci. 124, L60-L66 (1983). Experimental He-Ag(110) interaction potential. 39. R. Schinke, Surf. Sci. 127, 283-314 (1983). Rotationally mediated selective adsorption in rigid rotor/rigid surface scattering. 40. H. Voges and R. Schinke, Chem. Phys. Lett. 95, 221-225 (1983). On the dynamics of molecule/surface scattering. 41. D. Husler and R. Schinke, Chem. Phys. 79, 147-158 (1983). Theoretical investigation of rotational rainbows in K + N2 and K + CO collisions. 42. H. Voges and R. Schinke, Chem. Phys. Lett. 100, 245-250 (1983). A double rainbow interpretation of rotational energy transfer in energetic NO/Ag(111) collisions. 43. U. Buck, F. Huisken, D. Otten, and R. Schinke, Chem. Phys. Lett. 101, 126-130 (1983). Observation of multiple-collision rotational rainbows in Xe-CO2: Comparison between TOF measurements and scattering calculations. 44. K. Kleinermanns and R. Schinke, J. Chem. Phys. 80, 1440-1445 (1984). Dynamics of H + O2 f OH + O at high collision energies. 45. R. Schinke, In Electronic and Atomic Collisions; J. Eichler, I. V. Hertel, and N. Stolterfoht, Eds.; Elsevier Science Publishers B. V.: Amsterdam, 1984; pp 429-440. Theory of rotational transitions in molecules. 46. R. Schinke, V. Engel, and H. Voges, Chem. Phys. Lett. 104, 279-283 (1984). Magnetic sublevel splitting of selective adsorption resonances in molecule/surface collisions and its relation to the interaction anisotropy. 47. R. Schinke, H. Meyer, U. Buck, and G. H. F. Diercksen, J. Chem. Phys. 80, 5518-5530 (1984). A new rigidrotor H2-CO potential energy surface from accurate ab initio calculations and rotationally inelastic scattering data. 48. R. Schinke, J. Chem. Phys. 80, 5510-5517 (1984). Trajectory study of the reaction O(1D2) + HCl f OH + Cl on a fitted ab initio surface. 49. R. Schinke, In Dynamics on Surfaces; B. Pullman, J. Jortner, A. Nitzan, and R. B. Gerber, Eds.; D. Reidel Publishing Company: Dordrecht, 1984; pp 103-116. Rainbows and resonances in molecule-surface scattering.

50. R. Schinke and P. Andresen, J. Chem. Phys. 81, 5644-5648 (1984). Inelastic collisions of OH(2Π) with H2: Comparison between theory and experiment including rotational, fine structure, and Λ-doublet transitions. 51. R. Schinke, In Proceedings of the Sixth General Conference of the European Physical Society; J. Janta and J. Pantoflieck, Eds.; Prague, 1984; Vol. 1, pp 341. Rotational energy transfer in molecule-molecule and molecule-surface collisions. 52. R. Schinke and R. B. Gerber, J. Chem. Phys. 82, 1567-1576(1985).PhononsuddentheoryofDebey-Waller attenuation: Temperature dependence of rotational energy transfer in molecule/surface scattering. 53. U. Buck, D. Otten, R. Schinke, and D. Poppe, J. Chem. Phys. 82, 202-216 (1985). Multiple collision rotational rainbows: Theory and experiment for Xe-CO2. 54. Z. Baˇcic´, R. Schinke, and GHF Diercksen, J. Chem. Phys. 82, 236-244 (1985). Vibrational relaxation of CO (n ) 1) in collisions with H2. I. Potential energy surface and test of dynamical approximations. 55. Z. Baˇcic´, R. Schinke, and G. H. F. Diercksen, J. Chem. Phys. 82, 245-253 (1985). Vibrational relaxation of CO (n ) 1) in collisions with H2. II. Influence of H2 rotation. 56. V. Engel, Z. Baˇcic´, R. Schinke, and M. Shapiro, J. Chem. Phys. 82, 4844-4849 (1985). Absorption spectra for collinear (nonreactive) H3: Comparison between quantal and classical calculations. 57. R. Schinke, V. Engel, and V. Staemmler, Chem. Phys. Lett. 116, 165-168 (1985). Ab initio study of the photodissociation of water: OH state distributions and comparison with experiment. 58. R. Schinke and V. Engel, J. Chem. Phys. 83, 5068-5075 (1985). Semiclassical analysis of rotational state distributions in the photolysis of triatomic molecules: Mapping of ground state wave function and potential anisotropy. 59. R. Schinke, V. Engel, U. Buck, H. Meyer, and G. H. F. Diercksen, Astrophys. J. 299, 939-946 (1985). Rate constants for rotational transitions of CO scattered by para-hydrogen. 60. R. Schinke and GHF Diercksen, J. Chem. Phys. 83, 4516-4521 (1985). Vibrational relaxation of CO (n ) 1) in collisions with He. 61. R. Schinke, V. Engel, and V. Staemmler, J. Chem. Phys. 83, 4522-4533 (1985). Rotational state distributions in the photolysis of water: Influence of potential anisotropy. 62. R. Schinke, V. Engel, P. Andresen, D. Ha¨usler, and G. G. Balint-Kurti, Phys. ReV. Lett. 55, 1180-1183 (1985). Photodissociation of single H2O quantum states in the first absorption band: Complete characterization of OH rotational and Λ-doublet state distributions. 63. R. Schinke, Chem. Phys. Lett. 120, 129-134 (1985). Rainbows in CO rotational distributions following photofragmentation of formaldehyde. 64. V. Engel and R. Schinke, Chem. Phys. Lett. 122, 103-107 (1985). Theoretical study of the transitionstate spectroscopy of the collinear H + H2 reaction. 65. R. Schinke, J. Chem. Phys. 84, 1487-1491 (1986). Rotational state distributions of H2 and CO following the photofragmentation of formaldehyde.

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66. E. Gottwald, A. Mattheus, K. Bergmann, and R. Schinke, J. Chem. Phys. 84, 756-763 (1986). Angularly resolved vibrational excitation in Na2-Ne collisions. 67. R. Schinke, J. Phys. Chem. 90, 1742-1751 (1986). Semiclassical analysis of rotational distributions in scattering and photodissociation. 68. Z. Baˇcic´, U. Buck, H. Meyer, and R. Schinke, Chem. Phys. Lett. 125, 47-52 (1986). Energy transfer in ammonia-dimer-helium collisions. 69. U. Buck, H. Meyer, M. Tolle, and R. Schinke, Chem. Phys. 104, 345-353 (1986). Rotationally inelastic scattering in CO2 + He collisions. 70. H. Meyer, U. Buck, R. Schinke, and G. H. F Diercksen, J. Chem. Phys. 84, 4976-4987 (1986). Rotationally inelastic scattering and potential calculation for NH3 + He. 71. S. Hennig, V. Engel, and R. Schinke, J. Chem. Phys. 84, 5444-5454 (1986). Vibrational state distributions following the photodissociation of (collinear) triatomic molecules: The vibrational reflection principle in model calculations for CF3I. 72. R. Schinke and V. Engel, Chem. Phys. Lett. 124, 504-508 (1986). Reactive resonances in the photodissociation of symmetric triatomic molecules: An interpretation of collinear CO2 in terms of polar coordinates. 73. V. Engel, R. Schinke, and V. Staemmler, Chem. Phys. Lett. 130, 413-418 (1986). An ab initio calculation of the absorption cross section of water in the first absorption continuum. 74. H. Joswig, P. Andresen, and R. Schinke, J. Chem. Phys. 85, 1904-1914 (1986). Electronic fine structure transitions and rotational excitation in NO rare gas collisions. 75. R. Schinke, J. Chem. Phys. 85, 5049-5060 (1986). The rotational reflection principle in the direct photodissociation of triatomic molecules. Close-coupling and classical calculations. 76. R. Schinke and V. Engel, Faraday Discuss. 82, 111-124 (1986). The rotational reflection principle in photodissociation dynamics. 77. E. Gottwald, K. Bergmann, and R. Schinke, J. Chem. Phys. 86, 2685-2688 (1987). Supernumerary rotational rainbows in Na2-He, Ne, Ar scattering. 78. P. Andresen and R. Schinke, In Molecular Photodissociation Dynamics; J. E. Baggott and M. N. R. Ashfold, Eds.; Royal Society of Chemistry: Letchworth, 1987; pp 61-113. Dissociation of water in the first absorption band: A model system for direct photodissociation. 79. N. E. Henriksen, V. Engel, and R. Schinke, J. Chem. Phys. 86, 6862-6870 (1987). Test of the Wigner method for the photodissociation of symmetric triatomic molecules. 80. V. Engel, G. Meijer, A. Bath, P. Andresen, and R. Schinke, J. Chem. Phys. 87, 4310-4314 (1987). C˜ f ˜ emission in water: Theory and experiment. A 81. D. Husler, P. Andresen, and R. Schinke, J. Chem. Phys. 87, 3949-3965 (1987). State to state photodissociation of H2 O in the first absorption band. 82. V. Engel, R. Schinke, and E. Pollak, J. Chem. Phys. 87, 1596-1603 (1987). A collinear quantal study of vibrational predissociation and prereaction of van der Waals molecules. 83. S. Hennig, V. Engel, R. Schinke, M. Nonella, and J. R. Huber, J. Chem. Phys. 87, 3522-3529 (1987). Photo-

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dissociation dynamics of methylnitrite (CH3O-NO) in the 300-400 nm range: An ab initio quantum mechanical study. K. Weide and R. Schinke, J. Chem. Phys. 87, 4627-4633 (1987). Photodissociation dynamics of water in the second absorption band. I. Rotational state distributions of OH(2Σ) and OH(2Π). R. Schinke, J. Phys. Chem. 92, 3195-3201 (1988). Rotational state distributions following direct photodissociation of triatomic molecules: Test of classical models. V. Engel, R. Schinke, and V. Staemmler, J. Chem. Phys. 88, 129-148 (1988). Photodissociation dynamics of H2O and D2O in the first absorption band: A complete ab initio treatment. R. Schinke, In Collision Theory for Atoms and Molecules; F. Gianturco, Ed.; Plenum Press: New York, 1988; pp 229-285. Dynamics of molecular photodissociation. V. Engel and R. Schinke, J. Chem. Phys. 88, 6831-6837 (1988). Isotope effects in the fragmentation of water: The photodissociation of HOD in the first absorption band. R. Schinke, Annu. ReV. Phys. Chem. 39, 39-68 (1988). Rotational distributions in direct molecular photodissociation. R. Schinke, V. Engel, S. Hennig, K. Weide, and A. Untch, Ber. Bunsen-Ges. Phys. Chem. 92, 295-306 (1988). Classical and quantum-mechanical features in the photodissociation of small polyatomic molecules. R. Schinke and V. Staemmler, Chem. Phys. Lett. 145, 486-492 (1988). Photodissociation dynamics of H2O2 at 193 nm: An example of the rotational reflection principle. A. Untch, S. Hennig, and R. Schinke, Chem. Phys. 126, 181-1190 (1988). The vibrational reflection principle in direct photodissociation of triatomic molecules: Test of classical models. R. Schinke, J. Phys. Chem. 92, 4015-4019 (1988). Angular momentum correlation in the photodissociation of H2O2 at 193 nm. L. Beneventi, P. Casavecchia, F. Vecchiocattivi, G. G. Volpi, U. Buck, Ch. Lauenstein, and R. Schinke, J. Chem. Phys. 89, 4671-4679 (1988). Improved potential energy surface for He-CO2. S. Hennig, V. Engel, R. Schinke, and V. Staemmler, Chem. Phys. Lett. 149, 455-462 (1988). Emission spectroscopy of photodissociating water molecules: A time-independent ab initio study. S. Hennig, A. Untch, R. Schinke, N. Nonella, and J. R. Huber, Chem. Phys. 129, 93-107 (1989). Theoretical investigation of the photodissociation dynamics of HONO: Vibrational predissociation in the electronically excited state S1. R. Schinke, S. Hennig, A. Untch, M. Nonella, and J. R. Huber, J. Chem. Phys. 91, 2016-2029 (1989). Diffuse vibrational structures in photoabsorption spectra: A comparison of CH3ONO and CH3SNO using twodimensional ab initio potential energy surfaces. K. Weide and R. Schinke, J. Chem. Phys. 90, 7150-7163 (1989). Photodissociation dynamics of water in the second absorption band. II. Ab initio calculation of the absorption spectra for H2O and D2O and dynamical interpretation of “diffuse vibrational” structures.

J. Phys. Chem. A, Vol. 114, No. 36, 2010 9599 99. R. Schinke, Comments At. Mol. Phys. 23, 15-44 (1989). Rotational excitation in direct photodissociation and its relation to the anisotropy of the excited state potential energy surface: How realistic is the impulsive model? 100. M. Nonella, J. R. Huber, A. Untch, and R. Schinke, J. Chem. Phys. 91, 194-204 (1989). Photodissociation of CH3ONO in the first absorption band: A threedimensional classical trajectory study. 101. K. Ku¨hl and R. Schinke, Chem. Phys. Lett. 158, 81-86 (1989). Time-dependent rotational state distributions in direct photodissociation. 102. K. Weide, K. Ku¨hl, and R. Schinke, J. Chem. Phys. 91, 3999-4008 (1989). Unstable periodic orbits, recurrences, and diffuse vibrational structures in the photodissociation of water near 128 nm. 103. K. Weide, S. Hennig, and R. Schinke, J. Chem. Phys. 91, 7630-7637 (1989). Photodissociation of vibrationally excited water in the first absorption band. 104. R. Schinke, J. Chem. Phys. 92, 2397-2400 (1990). Rotational state distributions following the photodissociation of Cl-CN: Comparison of classical and quantum mechanical calculations. 105. V. Engel, R. Schinke, S. Hennig, and H. Metiu, J. Chem. Phys. 92, 1-13 (1990). A time-dependent interpretation of the absorption spectrum of CH3ONO. 106. B. Heumann, K. Ku¨hl, K. Weide, R. Du¨ren, B. Hess, U. Meier, S. D. Peyerimhoff, and R. Schinke, Chem. Phys. Lett. 166, 385-390 (1990). Photodissociation dynamics of water in the second absorption band: Vibrational excitation of OH(A2Σ). 107. R. Schinke, M. Nonella, H. U. Suter, and J. R. Huber, J. Chem. Phys. 93, 1098-1106 (1990). Photodissociation of ClNO in the S1 state: A quantum mechanical ab initio study. 108. R. Schinke and V. Engel, J. Chem. Phys. 93, 3252-3257 (1990). Periodic orbits and diffuse structures in the photodissociation of symmetric triatomic molecules. 109. K. Weide, V. Staemmler, R. Schinke, J. Chem. Phys. 93, 861-862 (1990). Nonadiabatic effects in the photodissociation of H2S. 110. G. Ebel, R. Krohne, H. Meyer, U. Buck, R. Schinke, T. Seelemann, P. Andresen, J. Schleipen, J. J. ter Meulen, and G. H. F. Diercksen, J. Chem. Phys. 93, 6419-6432 (1990). Rotationally inelastic scattering of NH3 with H2: Molecular-beam experiments and quantum calculations. 111. R. Schinke, R. L. Vander Wal, J. L. Scott, and F. F. Crim, J. Chem. Phys. 94, 283-288 (1991). The effect of bending vibrations on product rotations in the fully ˜ state of water. state-resolved photodissociation of the A 112. R. L. Vander Wal, J. L. Scott, F. F. Crim, K. Weide, and R. Schinke, J. Chem. Phys. 94, 3548-3555 (1991). An experimental and theoretical study of the bond selected photodissociation of HOD. 113. R. Schinke, A. Untch, H. U. Suter, and J. R. Huber, J. Chem. Phys. 94, 7929-7936 (1991). Mapping of transition-state wave functions: I. Rotational state distributions following the decay of long-lived resonances in the photodissociation of HONO(S1). 114. R. Schinke, K. Weide, B. Heumann, and V. Engel, Faraday Discuss. Chem. Soc. 91, 31-46 (1991). Diffuse structures and periodic orbits in the photodissociation of small polyatomic molecules.

115. A. Untch, K. Weide, and R. Schinke, Chem. Phys. Lett. 180, 265-270 (1991). 3D wavepacket study of the photodissociation of CH3ONO(S1). 116. B. Heumann, R. Du¨ren, and R. Schinke, Chem. Phys. Lett. 180, 583-588 (1991). Ab initio calculation of the two lowest excited states of H2S relevant for the photodissociation in the first continuum. 117. G. Ebel, R. Krohne, U. Buck, and R. Schinke, J. Phys. Chem. 95, 8232-8235 (1991). Differential molecularbeam scattering cross sections as a probe of the NH3-H2 potential surface. 118. A. Untch, K. Weide, and R. Schinke, J. Chem. Phys. 95, 6496-6507 (1991). The direct photodissociation of ClNO(S1): An exact three-dimensional wave packet analysis. 119. N. Halberstadt, J. A. Beswick, and R. Schinke, In Half Collision Resonances in Molecules: Experimental and Theoretical Approaches; M. Garcia-Sucre, G. Raseev, and G. C. Ross, Eds.; American Institute of Physics: New York, 1991; pp 211-220. Rotational distributions in the vibrational predissociation of weakly bound complexes: Quasi-classical golden rule treatment. 120. U. Wilhelmson, P. E. Siegbahn, and R. Schinke, J. Chem. Phys. 96, 8202-8211 (1992). A threedimensional potential energy surface for the reaction N+(3P) + H2(1Σg+) T NH+(X2Π) + H(2S). 121. A. Vegiri, A. Untch, and R. Schinke, J. Chem. Phys. 96, 3688-3695 (1992). Mapping of transition-state wave functions. II. A model for the photodissociation of ClNO(T1). 122. H. U. Suter, J. R. Huber, M. von Dirke, A. Untch, and R. Schinke, J. Chem. Phys. 96, 6727-6734 (1992). A quantum mechanical, time-dependent wave packet interpretation of the diffuse structures in the S0 f S1 absorption spectrum of FNO: Coexistence of direct and indirect dissociation. 123. A. Ogai, J. Brandon, H. Reisler, H. U. Suter, J. R. Huber, M. von Dirke, and R. Schinke, J. Chem. Phys. 96, 6643-6653 (1992). Mapping of parent transitionstate wave functions into product rotations: An experimental and theoretical investigation of the photodissociation of FNO. 124. D. So¨lter, H.-J. Werner, M. von Dirke, A. Untch, A. Vegiri, and R. Schinke, J. Chem. Phys. 97, 3357-3374 (1992). The photodissociation of ClNO through excitation of the T1 state: An ab initio study. 125. M. von Dirke and R. Schinke, Chem. Phys. Lett. 196, 51-56 (1992). Three-dimensional wavepacket calculation for the photodissociation of water in the A state. 126. V. Engel, V. Staemmler, R. L. Vander Wal, F. F. Crim, R. J. Sension, B. Hudson, P. Andresen, S. Hennig, K. Weide, and R. Schinke, J. Phys. Chem. 96, 3201-3213 (1992). Photodissociation of water in the first absorption band: A prototype for dissociation on a repulsive potential energy surface. 127. B. Heumann, K. Weide, R. Dren, and R. Schinke, J. Chem. Phys. 98, 5508-5525 (1993). Nonadiabatic effects in the photodissociation of H2S in the first absorption band: An ab initio study. 128. C. C. Marston, K. Weide, R. Schinke, and H. U. Suter, J. Chem. Phys. 98, 4718-4727 (1993). Product selectivity of vibrationally mediated photofragmentation of methanol.

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143. A. J. Dobbyn, M. Stumpf, H.-M. Keller, W. L. Hase and R. Schinke, J. Chem. Phys. 102, 5867-5870 (1995). Quantum mechanical study of the unimolecular dissociation of HO2: A rigorous test of RRKM theory. 144. T. Schro¨der, R. Schinke, and Z. Baˇcic´, Chem. Phys. Lett. 235, 316-320 (1995). Resonances in the UV photodissociation of the Ar · · · HCL van der Waals complex? An exact quantum 3D wave packet study. 145. R. Schinke, H.-M. Keller, M. Stumpf, and A. J. Dobbyn, J. Phys. B 28, 3081-3111 (1995). Vibrational resonances in molecular photodissociation: From statespecific to statistical behavior. 146. F. Seyl, O. Haan, and R. Schinke, In High-Performance Computing and Networking; B. Hertzberger and G. Serazzi, Eds.; Springer: Berlin, 1995; pp 312-317. A parallel code for simulating the ionization of hydrogen with short intensive laser pulses. 147. K. Song, G. H. Peslherbe, W. L. Hase, A. J. Dobbyn, M. Stumpf, and R. Schinke, J. Chem. Phys. 103, 8891-8900 (1995). Comparison of quantum and semiclassical variational transition state models for the HO2 f H + O2 microcanonical rate constant. 148. T. Schro¨der, R. Schinke, S. Liu, Z. Baˇcic´, and J. W. Moskowitz, J. Chem. Phys. 104, 9228-9241 (1995). Photodissociation of HF in ArnHF (n ) 1-14, 54) van der Waals clusters: Effects of the solvent cluster size on the solute fragmentation dynamics. 149. A. J. Dobbyn, M. Stumpf, H.-M. Keller, and R. Schinke, J. Chem. Phys. 103, 9947-9962 (1995). Theoretical study of the unimolecular dissociation of HO2 f H + O2. I. Calculation of the bound states of HO2 up to the dissociation threshold and their statistical analysis. 150. M. Stumpf, A. J. Dobbyn, D. H. Mordaunt, H.-M. Keller, H. Flo¨thmann, R. Schinke, H.-J. Werner, and K. Yamashita, Faraday Discuss. Chem. Soc. 102, 193213 (1995). The unimolecular dissociations of HCO, HNO and HO2: From regular to irregular dynamics. 151. A. J. Dobbyn, D. H. Mordaunt, and R. Schinke, In Atomic, Molecular & Optical Physics Handbook; G. Drake, Ed.; American Institute of Physics: Woodbury, 1996; pp 411-418. Molecular photodissociation. 152. A. J. Dobbyn, M. Stumpf, H.-M. Keller, and R. Schinke, J. Chem. Phys. 104, 8357-8381 (1996). Theoretical study of the unimolecular dissociation HO2 f H + O2. II. Calculation of resonant states, dissociation rates, and O2 product state distributions. 153. H.-M. Keller, H. Flo¨thmann, A. J. Dobbyn, R. Schinke, H.-J. Werner, C. Bauer, and P. Rosmus, J. Chem. Phys. 105, 4983-5004 (1996). The unimolecular dissociation of HCO. II. Comparison of calculated resonance energies and widths with high-resolution spectroscopic data. 154. T. Peng, D. H. Zhang, J. Z. H. Zhang, and R. Schinke, Chem. Phys. Lett. 248, 37-42 (1996). Reaction of O(1D) + H2 f HO + H. A three-dimensional quantum dynamics study. 155. S. C. Farantos, H.-M. Keller, R. Schinke, K. Yamashita, and K. Morokuma, J. Chem. Phys. 104, 10055-10057 (1996). Normal mode and isomerization bending states in HCP: Periodic orbit assignment and spectroscopic signature. 156. S. Green, H.-M. Keller, R. Schinke, and H.-J. Werner, J.Chem.Phys.105,5416-5422(1996).Vibration-rotation excitation of CO by hot hydrogen atoms: Comparison of two potential energy surfaces.

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the multiconfiguration time-dependent Hartree (MCTDH) method: I. The Hartley and Huggins bands. 277. R. Schinke, In Handbook of High-Resolution Spectroscopy; M. Quack and F. Merkt, Eds.; Wiley: New York, 2010. Photodissociation dynamics of polyatomic molecules: Diffuse structures and nonadiabatic coupling. JP103494H