9596
J. Phys. Chem. A 2010, 114, 9596–9605
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.
9598
J. Phys. Chem. A, Vol. 114, No. 36, 2010
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-
84.
85.
86.
87.
88.
89.
90.
91.
92.
93.
94.
95.
96.
97.
98.
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.
9600
J. Phys. Chem. A, Vol. 114, No. 36, 2010
129. J. R. Huber and R. Schinke, J. Phys. Chem. 97, 3463-3474 (1993). Photodissociation dynamics of polyatomic molecules. The relationship between potential energy surfaces and the breaking of molecular bonds. 130. M. von Dirke, B. Heumann, R. Schinke, R. J. Sension, and B. S. Hudson, J. Chem. Phys. 99, 1050-1056 (1993). Emission spectroscopy of H2O dissociating in the B˜1A1 state: Rapid bending motion manifested ˜ ). through excitation of high bending states of H2O(X 131. A. Untch, R. Schinke, R. Cotting, and J. R. Huber, J. Chem. Phys. 99, 9553-9566 (1993). The vibrational predissociation of cis-methyl nitrite in the S1 state: A comparison of exact quantum mechanical wave packet calculations with classical trajectory calculations and detailed experimental results. 132. R. A. Bea¨rda, G.-J. Kroes, M. C. van Hemert, B. Heumann, R. Schinke, and E. F. van Dishoeck, J. Chem. Phys. 100, 1113-1127 (1994). Photodissociation of CH2. III. Two-dimensional dynamics of the dissociation of CH2, CD2, and CHD through the first excited triplet state. 133. T. Schro¨der, R. Schinke, M. Mandziuk, and Z. Baˇcic´, J. Chem. Phys. 100, 7239-7249 (1994). Resonances in the photodissociation of HCl in the Ar-HCl van der Waals complex: How prominent are they? 134. G. Ebel and R. Schinke, J. Chem. Phys. 101, 1865-1877 (1994). Molecular spectroscopy with light pulses of arbitrary pulse shape and field strength: A nonperturbative approach. 135. R. Schinke, In Molecules and Grains in Space, AIP Conference Proceedings 312; I. Nenner, Ed.; AIP Press: New York, 1994; pp 557-567. Photodissociation of small polyatomic molecules. 136. M. von Dirke, B. Heumann, K. Ku¨hl, T. Schrder, and R. Schinke, J. Chem. Phys. 101, 2051-2068 (1994). Fluctuations in absorption spectra and final product state distributions following photodissociation processes. 137. B. Heumann and R. Schinke, J. Chem. Phys. 101, 7488-7499 (1994). Emission spectroscopy of dissociating H2S: Influence of nonadiabatic coupling. 138. H. Reisler, H.-M. Keller, and R. Schinke, Comments At. Mol. Phys. 30, 191-220 (1994). Product rotational distributions in the photofragmentation of small polyatomic molecules: The transition from dynamics to statistics. 139. A. Loettgers, A. Untch, M. Stumpf, R. Schinke, H.-J. Werner, C. Bauer, and P. Rosmus, Chem. Phys. Lett. 230, 290-298 (1994). The Renner-Teller-induced pre˜ 2A′′). Wavepacket calculations dissociation of HCO(A using new ab initio potential energy surfaces. 140. R. Schinke and J. R. Huber, In Femtosecond Chemistry; J. Manz and L. Wo¨ste, Eds.; VCH Verlagsgesellschaft: Weinheim, 1995; Vol. 2, pp 299-319. Molecular dynamics in excited electronic statessTime-dependent wave packet studies. 141. H.-J. Werner, C. Bauer, P. Rosmus, H.-M. Keller, M. Stumpf, and R. Schinke, J. Chem. Phys. 102, 3593-3611 (1995). The unimolecular dissociation of HCO: I. Oscillations of pure CO stretching resonance widths. 142. A. J. Dobbyn, M. von Dirke, R. Schinke, and R. Fink, J. Chem. Phys. 102, 7070-7079 (1995). The photodissociation of FNO in the S1 state: Three-dimensional calculation on a new potential energy surface.
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.
J. Phys. Chem. A, Vol. 114, No. 36, 2010 9601 157. T. Schro¨der, R. Schinke, S. Liu, Z. Baˇcic´, and J. W. Moskowitz, In Femtochemistry, Ultrafast chemical and physical processes in molecular systems; M. Chergui, Ed.; World Scientific Publishing Co.: Singapore, 1996; pp 277-280. Photodissociation of HF in ArnHF (n ) 1-14, 54). 158. F. Seyl, R. Schinke, and O. Haan, In Femtochemistry, Ultrafast chemical and physical processes in molecular systems; M. Chergui, Ed.; World Scientific Publishing Co.: Singapore, 1996; pp 72-81. H2+ interacting with a short intense laser pulse. 159. C. Sto¨ck, X. Li, H.-M. Keller, R. Schinke, and F. Temps, J. Chem. Phys. 106, 5333-5358 (1997). Unimolecular dissociation dynamics of highly vibrationally ˜ 2A′). I. Investigation of dissociative excited DCO(X resonanace states by stimulated emission pumping spectroscopy. 160. H.-M. Keller, M. Stumpf, T. Schro¨der, C. Sto¨ck, F. Temps, R. Schinke, C. Bauer, R. Rosmus, and H.-J. Werner, J. Chem. Phys. 106, 5359-5378 (1997). Unimolecular dissociation dynamics of highly vibra˜ 2A′). II. Calculation of resonance tionally excited DCO(X energies and widths and comparison with high-resolution spectroscopic data. 161. A. Loettgers, A. Untch, H.-M. Keller, R. Schinke, H.J. Werner, C. Bauer, and P. Rosmus, J. Chem. Phys. 106, 3186-3204 (1997). Ab initio study of the photodissociation of HCO in the first absorption band: Threedimensional wave packet calculations including the ˜ 2A′-A ˜ 2A′′ Renner-Teller coupling. X 162. H.-M. Keller and R. Schinke, J. Chem. Soc. Faraday Trans. 93, 879-884 (1997). Unimolecular dissociation of HCO, Part III. Comparison of calculated and measured CO rotational-state distributions. 163. P. Schwendner, F. Seyl, and R. Schinke, Chem. Phys. 217, 233-247 (1997). Photodissociation of Ar2+ in strong laser fields. 164. T. Schro¨der, R. Schinke, R. Krohne, and U. Buck, J. Chem. Phys. 106, 9067-9077 (1997). Vibrational dynamics of large clusters from helium atom scattering: Calculations for Ar55. 165. A. Loettgers and R. Schinke, J. Chem. Phys. 106, 8938-8939 (1997). Wave packet investigation of the ˜ 2A′′). Renner-Teller-induced predissociation of DCO(A 166. S. Yu. Grebenshchikov, C. Beck, H. Flo¨thmann, D. H. Mordaunt, and R. Schinke, Chem. Phys. Lett. 217, 197-203 (1997). Revivals in triatomic molecules: Influence of mode mixing. 167. D. H. Mordaunt, H. Flo¨thmann, M. Stumpf, H.-M. Keller, C. Beck, R. Schinke, and K. Yamashita, J. Chem. Phys. 107, 6603-6615 (1997). The dissocia˜ 1A′, tion of HNO. I. Potential energy surfaces for the X 1 3 ˜ A A′′, and a˜ A′′ states. 168. C. Woywod, M. Stengle, W. Domcke, H. Flo¨thmann, and R. Schinke, J. Chem. Phys. 107, 7282-7295 (1997). Photodissociation of ozone in the Chappuis band. I. Electronic structure calculations. 169. H. Flo¨thmann, C. Beck, R. Schinke, C. Woywood, and W. Domcke, J. Chem. Phys. 107, 7296-7313 (1997). Photodissociation of ozone in the Chappuis band. II. Time-dependent wave packet calculations and interpretation of diffuse vibrational structures. 170. C. Beck, H.-M. Keller, S. Yu. Grebenshchikov, R. Schinke, S. C. Farantos, K. Yamashita, and K. Moro-
171.
172.
173.
174.
175.
176.
177.
178.
179.
180.
181.
182.
183.
kuma, J. Chem. Phys. 107, 9818-9834 (1997). Highly excited vibrational states of HCP and their analysis in terms of periodic orbits: The genesis of saddle-node states and their spectroscopic signature. J.-J. Klossika, H. Flo¨thmann, C. Beck, R. Schinke, and K. Yamashita, Chem. Phys. Lett. 276, 325-333 (1997). The topography of the HNCO(S1) potential energy surface and its implications for photodissociation dynamics. R. Schinke, H.-M. Keller, H. Flo¨thmann, M. Stumpf, C. Beck, D. H. Mordaunt, and A. J. Dobbyn, AdV. Chem. Phys. 101, 745-787 (1997). Resonances in unimolecular dissociation: From mode-specific to statistical behavior. R. Schinke, In The Encyclopedia of Computational Chemistry; P. von Rague´ Schleyer, N. L. Allinger, T. Clark, J. Gasteiger, P.A. Kollman, H. F. Schaefer, III, and P. R. Schreiner, Eds.; John Wiley & Sons: Chichester, 1998; pp 2064-2080. Photodissociation dynamics S. Yu. Grebenshchikov, C. Beck, R. Schinke, and S. C. Farantos, Phys. Lett. A, 243, 208-214 (1998). Threedimensional molecular wave packets: Calculation of revival times from periodic orbits. S. Yu. Grebenshchikov, H. Flo¨thmann, R. Schinke, I. Bezel, C. Wittig, and S. Kato, Chem. Phys. Lett. 285, 410-416 (1998) Ka mixing in the unimolecular dissociationofNO2 studiedbyclassicaldynamicscalculations. P. Schwendner, C. Beck, and R. Schinke, Phys. ReV. A 58, 2203-2213 (1998). Ladder climbing and multiphoton dissociation of polyatomic molecules excited with short pulses: Basic theory and applications to HCO. H. Flo¨thmann, R. Schinke, C. Woywod, and W. Domcke, J. Chem. Phys. 109, 2680-2684 (1998). Photodissociation of ozone in the Chappuis band. III. Product state distributions. R. Schinke, C. Beck, S. Yu. Grebenshchikov, and H.M. Keller, Ber. Bunsen-Ges. Phys. Chem. 102, 593-611 (1998). Unimolecular dissociation: A state-specific quantum mechanical perspective. T. Schrder, R. Schinke, M. Ehara, and K. Yamashita, J. Chem. Phys. 109, 6641-6646 (1998). New aspects of the photodissociation of water in the first absorption band: How strong is the excitation of the first triplet state? W.-H. Fang, S. Peyerimhoff, C. Beck, H. Flo¨thmann, R. Schinke, H. U. Suter, and J. R. Huber, J. Chem. Phys. 109, 7137-7146 (1998). Photodissociation dynamics of HNF. I. Ab initio calculation of global potential energy surfaces, vibrational energies, and wave functions. M. Joyeux, S. Yu. Grebenshchikov, and R. Schinke, J. Chem. Phys. 109, 8342-8354 (1998). Analysis of the highly excited vibrational dynamics of HCP using a high-order Fermi resonance Hamiltonian. S.C Farantos, C Beck, and R. Schinke, Theor. Chem. Acc. 100, 147-153 (1998). Periodic orbits and vibrational wave functions of DCP: nonlinear resonances in isotopically substituted molecules. S.Yu. Grebenshchikov, C. Beck, J. Hauschildt, H. Flo¨thmann, and R. Schinke, In Molecular Quantum States at Dissociation, R. Prosmiti, J. Tennyson, and DC.Clary, Eds.; Daresbury Laboratory, Daresbury, 1998; pp 33-39. Dynamics and statistics in the unimolecular dissociation of NO2.
9602
J. Phys. Chem. A, Vol. 114, No. 36, 2010
184. S.Yu. Grebenshchikov, C. Beck, F. Flo¨thmann, R. Schinke, and S. Kato, J. Chem. Phys. 111, 619-632 (1999). Unimolecular dissociation of NO2. I. Classical trajectory and statistical calculations on a global potential energy surface. 185. H. Ishikawa, R.W. Field, S.C. Farantos, M. Joyeux, J. Koput, C. Beck, and R. Schinke, Ann. ReV. Phys. Chem. 50, 443-484 (1999). HCP T CPH Isomerization: Caught in the Act. 186. J. Hauschildt, J. Weiβ, C. Beck, S.Yu. Grebenshchikov, R. Dren, R. Schinke, and J. Koput, Chem. Phys. Lett. 300, 569-576 (1999). Unimolecular dissociation of HOCl: unexpectedly broad distribution of rate constants. 187. H.-M. Keller and R. Schinke, J. Chem. Phys. 110, 9887-9897 (1999). The unimolecular dissociation of HCO. IV. Variational calculation of Siegert states. 188. J.-J. Klossika and R. Schinke, J. Chem. Phys. 111, 5882-5896 (1999). The photodissociation of HNCO in the S1 band: A five-dimensional classical trajectory study 189. J.-J. Klossika, H. Flo¨thmann, R. Schinke and M. Bittererova, Chem. Phys. Lett. 314, 182-188 (1999). On the S1fS0 internal conversion in the photodissociation of HNCO. 190. M. Joyeux, D. Sugny, V. Tyng, M.E. Kellman, H. Ishikawa, R.W. Field, C. Beck, and R. Schinke, J. Chem. Phys. 112, 4162-4172 (2000). Semiclassical study of the isomerization states of HCP. 191. J. Weiβ, J. Hauschildt, S.Yu. Grebenshchikov, R. Du¨ren, R. Schinke, J. Koput, S. Stamatiadis, and S.C. Farantos, J. Chem. Phys. 112, 77-93 (2000). Saddlenode bifurcations in the spectrum of HOCl. 192. R. Schinke, Theor. Chem. Acc. 103, 297-299 (2000). Perspective on “Semiclassical theory of atom-diatom collisions: Path Integrals and the classical S matrix” by Miller, W. H. J. Chem. Phys. 53, 1949-1959 (1970). 193. J. Bredenbeck, C. Beck, R. Schinke, J. Koput, S. Stamatiadis, S. C. Farantos, and M. Joyeux, J. Chem. Phys. 112, 8855-8865 (2000). The vibrational spectrum of deuterated phosphaethyne: A quantum mechanical, classical, and semiclassical analysis. 194. C. Beck, R. Schinke, and J. Koput, J. Chem. Phys. 112, 8446-8457 (2000). Vibrational spectroscopy of phosphaethyne. I. Potential energy surface, variational calculations, and comparison with experimental data. 195. J. Hauschildt, J. Weiβ, and R. Schinke, Z. Phys. Chem. 214, 609-623 (2000). Influence of vibrational resonances and Coriolis coupling on dissociation rates in the near-threshold unimolecular fragmentation of HOCl. 196. B. Kirmse, B. Abel, D. Schwarzer, S. Yu. Grebenshchikov, and R. Schinke, J. Phys. Chem. A 104, 10398-10408 (2000). Nonexponential unimolecular decay of jet-cooled NO2: Comparison of time-resolved measurements and quantum mechanical calculations. 197. A. Delon, F. Reiche, B. Abel, S. Yu. Grebenshchikov, and R. Schinke, J. Phys. Chem. A 104, 10374-10382 (2000). Investigation of loosely bound states of NO2 just below the first dissociation threshold. 198. J. Weiβ, R. Schinke, and V. A. Mandelshtam, J. Chem. Phys. 113, 4588-4597 (2000). Renner-Teller-induced photodissociation of HCO in the first absorption band: ˜ 2A′′ K ) 0, 1 Determination of linewidths for the A states by filter-diagonalization.
199. M. Joyeux, D. Sugny, M. Lombardi, R. Jost, R. Schinke, S. Skokov, and J. M. Bowman, J. Chem. Phys. 113, 9610-9621 (2000). Vibrational dynamics up to the dissociation threshold: A case study of two-dimensional HOCl. 200. R. Schinke and M. Bittererova´, Chem. Phys. Lett. 332, 611-616 (2000). On the S1 f S0 internal conversion in the photodissociation of HNCO: The role of the NC stretch as a promoting mode. 201. S. Heilliette, A. Delon, R. Jost, S. Yu. Grebenshchikov, R. Schinke, B. Abel, and J. C. Rayez, Z. Phys. Chem. 215, 1069-1086 (2001). Density of loosely bound states in a triatomic molecule: The role of long-range interactions. 202. S. Schmatz, P. Botschwina, J. Hauschildt, and R. Schinke, J. Chem. Phys. 114, 5233-5245 (2001). Symmetry specificity in the unimolecular decay of the Cl- · · · CH3Cl complex: Two-mode quantum calculations on a coupled-cluster [CCSD(T)] potential energy surface. 203. J. Hauschildt, R. Schinke, S. Schmatz, and P. Botschwina, Phys. Chem. Chem. Phys. 3, 2275-2281 (2001). Unimolecular decay of the Cl- · · · CH3Cl complex: Influence of symmetry breaking. 204. R. Siebert, R. Schinke, and M. Bittererova´, Phys. Chem. Chem. Phys. 3, 1795-1798 (2001). Spectroscopy of ozone at the dissociation threshold: Quantum calculations of bound and resonance states on a new global potential energy surface. 205. J. Weiβ and R. Schinke, J. Chem. Phys. 115, 3173-3183 (2001). Renner-Teller-induced predissociation of ˜ 1A′′): Rotational-state dependent linewidths of HNO(A quasibound states. 206. S. Stamatiadis, S.C. Farantos, H.-M. Keller, and R. Schinke, Chem. Phys. Lett. 344, 565-572 (2001). Saddle-node states in the spectra of HCO and DCO: a periodic orbit classification of vibrational levels. 207. U. Brandt-Pollmann, J. Weiβ, and R. Schinke, J. Chem. Phys. 115, 8876-8879 (2001). The unimolecular dissociation of HCO. V. Mixings between resonance states. 208. J. Weiβ, J. Hauschildt, R. Schinke, O. Haan, S. Skokov, J. M. Bowman, V. A. Mandelshtam, and K. A. Peterson, J. Chem. Phys. 115, 8880-8887 (2001). The unimolecular dissociation of the OH stretching states of HOCl: Comparison with experimental data. 209. M. Joyeux, S. C. Farantos, and R. Schinke, J. Phys. Chem. A 106, 5407-5421 (2002). Highly excited motion in molecules: Saddle-node bifurcations and their fingerprints in vibrational spectra. 210. K. Song, L. Sun, W. L. Hase, S. Yu. Grebenshchikov, and R. Schinke, J. Phys. Chem. A 106, 8339-8344 (2002). Relationship between mode specific and thermal unimolecular rate constants for HOCl f OH + Cl dissociation. 211. R. Siebert, P. Fleurat-Lessard, R. Schinke, M. Bittererova´, and S. C. Farantos, J. Chem. Phys. 116, 9749-9767 (2002). The vibrational energies of ozone up to the dissociation threshold: Dynamics calculations on an accurate potential energy surface. 212. P. Rosmus, P. Palmieri, and R. Schinke, J. Chem. Phys. 117, 4871-4877 (2002). The asymptotic region of the potential energy surfaces relevant for the O(3P) + O2(X3Σg-) h O3 reaction. 213. S. Schmatz, P. Botschwina, J. Hauschildt, and R. Schinke, J. Chem. Phys. 117, 9710-9718 (2002).
J. Phys. Chem. A, Vol. 114, No. 36, 2010 9603
214.
215.
216.
217.
218.
219.
220.
221.
222.
223.
224.
225.
226.
227.
228.
229.
Resonances in SN2 reactions: Two-mode quantum calculations for Cl- + CH3Br on a coupled-cluster potential energy surface. P. Fleurat-Lessard, S. Yu. Grebenshchikov, R. Siebert, R. Schinke, and N. Halberstadt, J. Chem. Phys. 118, 610-621 (2003). Theoretical investigation of the temperature dependence of the O + O2 exchange reaction. B. Abel, S. Yu. Grebenshchikov, R. Schinke, and D. Schwarzer, Chem. Phys. Lett. 368, 252-256 (2003). Comment on “Rate coefficients for photoinitiated NO2 unimolecular decomposition: energy dependence in the threshold regime” [Chem. Phys. Lett. 358, 71 (2002)]. L. Poluyanov and R. Schinke, Chem. Phys. 288, 123-136 (2003). Theory of molecular bound states including Σ-Π vibronic interaction. T. Azzam, R. Schinke, S. Farantos, M. Joyeux, and K. A. Peterson, J. Chem. Phys. 118, 9643-9652 (2003). The bound state spectrum of HOBr up to the dissociation limit: Evolution of saddle-node bifurcations. D. Babikov, B. K. Kendrick, R. B. Walker, R. T. Pack, and R. Schinke, Chem. Phys. Lett. 372, 686-691 (2003). Quantum origin of an anomalous isotope effect in ozone formation. D. Babikov, B. K. Kendrick, R. B. Walker, R. T. Pack, P. Fleurat-Lessard, and R. Schinke, J. Chem. Phys. 118, 6298-6308 (2003). Metastable states of ozone calculated on an accurate potential energy surface. K.-L. Yeh, D. Xie, D. H. Zhang, S.-Y. Lee, and R. Schinke, J. Phys. Chem. A 107, 7215-7219 (2003). Time-dependent wave packet study of the O + O2 (V ) 0, j ) 0) exchange reaction. R. Schinke, P. Fleurat-Lessard, and S. Yu. Grebenshchikov, Phys. Chem. Chem. Phys. 5, 1966-1996 (2003). Isotope dependence of the lifetime of ozone complexes formed in O + O2 collisions. R. Siebert and R. Schinke, J. Chem. Phys. 119, 3092-3097 (2003). The vibrational spectrum of cyclic ozone. V. Kurkal, P. Fleurat-Lessard, and R. Schinke, J. Chem. Phys. 119, 1489-1501 (2003). NO2: Global potential energy surfaces of the ground (12A1) and the first excited (12B2) electronic states. P. Fleurat-Lessard, S. Yu. Grebenshchikov, R. Schinke, C. Janssen, and D. Krankowsky, J. Chem. Phys. 119, 4700-4712 (2003). Isotope dependence of the O + O2 exchange reaction: Experiment and theory. D. Babikov, B. K. Kendrick, R. B. Walker, R. T. Pack, P. Fleurat-Lessard, and R. Schinke, J. Chem. Phys. 119, 2577-2589 (2003). Formation of ozone: Metastable states and anomalous isotope effect. Z.-W. Qu, H. Zhu, and R. Schinke, Chem. Phys. Lett. 377, 359-366 (2003). The ultraviolet photodissociation of ozone revisited. S. Yu. Grebenshchikov, R. Schinke, P. Fleurat-Lessard, and M. Joyeux, J. Chem. Phys. 119, 6512-6523 (2003). van der Waals states in ozone and their influence on the threshold spectrum of O3(X1A1). I. Bound states. M. Tashiro and R. Schinke, J. Chem. Phys. 119, 10186-10193 (2003). The effect of spin-orbit coupling in complex forming O(3P) + O2 collisions. M. V. Ivanov and R. Schinke, J. Phys.: Condens. Matter 15, 5909-5913 (2003). Two-dimensional neutral donors in electric fields.
230. S. Yu. Grebenshchikov, R. Schinke, and W. L. Hase, In ComprehensiVe Chemical Kinetics, Vol. 39, Unimolecular Kinetics, Part 1. The Reaction Step; N. J. B. Green, Ed.; Elsevier: Amsterdam, 2003; pp 105-242. State-specific dynamics of unimolecular dissociation. 231. H. Zhu, Z.-W. Qu, M. Tashiro, and R. Schinke, Chem. Phys. Lett. 384, 45-51 (2004). On spin-forbidden processes in the ultraviolet photodissociation of ozone. 232. Z.-W. Qu, H. Zhu, M. Tashiro, R. Schinke, and S. C. Farantos, J. Chem. Phys. 120, 6811-6814 (2004). The Huggins band of ozone: Unambiguous electronic and vibrational assignment. 233. M. Joyeux, R. Schinke, and S. Yu. Grebenshchikov, J. Chem. Phys. 120, 7426-7437 (2004). Semiclassical dynamics of the van der Waals states in O3(X1A1). 234. M. V. Ivanov and R. Schinke, Phys. ReV. B 69, 1653081-9 (2004). Two-dimensional analogs of the H2+ ion in stationary electric fields. 235. M. Ivanov, S. Yu. Grebenshchikov, and R. Schinke, J. Chem. Phys. 120, 10015-10024 (2004). Intra- and intermolecular energy transfer in highly excited ozone complexes. 236. S. F. Deppe, U. Wachsmuth, B. Abel, M. Bittererova´, S. Yu. Grebenshchikov, R. Siebert, and R. Schinke, J. Chem. Phys. 121, 5191-5200 (2004). Resonance spectrum and dissociation dynamics of ozone in the 3B2 electronically excited state: Experiment and theory. 237. R. Schinke and P. Fleurat-Lessard, J. Chem. Phys. 121, 5789-5793 (2004). On the transition-state region of the O(3P) + O2(3Σg-) potential energy surface. 238. R. Schinke, In Conical Intersections: Electronic Structure, Dynamics and Spectroscopy; W. Domcke, D. R. Yarkony, and H. Ko¨ppel, Eds.; World Scientific Co.: Singapore, 2004; pp 473-519. Quantum mechanical studies of photodissociation dynamics using accurate global potential energy surfaces. 239. Z.-W. Qu, H. Zhu, S. Yu. Grebenshchikov, R. Schinke, and S. C. Farantos, J. Chem. Phys. 121, 11731-11745 (2004). The Huggins band of ozone: A theoretical analysis. 240. H. Zhu, Z.-W. Qu, S. Yu. Grebenshchikov, R. Schinke, J. Malicet, J. Brion, and D. Daumont, J. Chem. Phys. 122, 024310-1-8 (2005). The Huggins band of ozone: Analysis of hot bands. 241. M. Joyeux, S. Yu. Grebenshchikov, J. Bredenbeck, R. Schinke, and S. C. Farantos, AdV. Chem. Phys. 130, 267-303 (2005). Intramolecular dynamics along isomerization and dissociation pathways. 242. R. Schinke and P. Fleurat-Lessard, J. Chem. Phys. 122, 094317-1-9 (2005). The effect of zero-point energy differences on the isotope dependence of the formation of ozone: A classical trajectory study. 243. L. Adam, W. Hack, H. Zhu, Z.-W. Qu, and R. Schinke, J. Chem. Phys. 122, 114301-1-7 (2005). Experimental and theoretical investigation of the reaction NH(X3Σ-) + H(2S) f N(4S) + H2(X1Σg+). 244. Z.-W. Qu, H. Zhu, R. Schinke, L. Adam, and W. Hack, J. Chem. Phys. 122, 204313-1-11 (2005). Experimental and theoretical investigation of the reactions NH(X3Σ-) + D(2S) f ND(X3Σ-) + H(2S) and NH(X3Σ-) + D(2S) f N(4S) + HD(X1Σg+). 245. Z.-W. Qu, H. Zhu, S. Yu. Grebenshchikov, and R. Schinke, J. Chem. Phys. 122, 191102-1-4 (2005). The
9604
246.
247.
248.
249.
250.
251.
252.
253.
254.
255.
256.
257.
258.
259.
260.
J. Phys. Chem. A, Vol. 114, No. 36, 2010 triplet channel in the photodissociation of ozone in the Hartley band: Classical trajectory surface hopping analysis. K. Mauersberger, D. Krankowsky, C. Janssen, and R. Schinke, AdV. At., Mol., Opt. Phys. 50, 1-54 (2005). Assesment of the ozone isotope effect. M. V. Ivanov and R. Schinke, J. Chem. Phys. 122, 234318-1-6 (2005). Temperature dependent energy transfer in Ar-O3 collisions. Z.-W. Qu, H. Zhu, S. Yu. Grebenshchikov, and R. Schinke, J. Chem. Phys. 123, 074305-1-12 (2005). The photodissociation of ozone in the Hartley band: A theoretical analysis. Z.-W. Qu, H. Zhu, and R. Schinke, J. Chem. Phys. 123, 204324-1-7 (2005). Infrared spectrum of cyclic ozone: A theoretical investigation. W. L. Hase and R. Schinke, In Theory and Applications of Computational Chemistry: The first 40 years; C. E. Dykstra, G. Frenking, K. S. Kim, and G. Scuseria, Eds.; Elsevier: New York, 2005; pp 397-423. Role of computational chemistry in the theory of unimolecular reaction rates. R. Schinke, S. Yu. Grebenshchikov, M. V. Ivanov, and P. Fleurat-Lessard, Annu. ReV. Phys. Chem. 57, 625-661 (2006). Dynamical studies of the ozone isotope effect: A status report. M. V. Ivanov and R. Schinke, J. Chem. Phys. 124, 104303-1-10 (2006). Recombination of ozone via the chaperon mechanism. S. Yu. Grebenshchikov, R. Schinke, Z.-W. Qu, and H. Zhu, J. Chem. Phys. 124, 204313-1-13 (2006). Absorption spectrum and assignment of the Chappuis band of ozone. S. Yu. Grebenshchikov, Z.-W. Qu, H. Zhu, and R. Schinke, J. Chem. Phys. 125, 021102-1-4 (2006). Spin-orbit mechanism of predissociation in the Wulf band of ozone. S. C. Farantos, Z.-W. Qu, H. Zhu, and R. Schinke, Int. J. Bifurcation Chaos Appl. Sci. Eng. 16, 1913-1928 (2006). Reaction paths and elementary bifurcations tracks: The diabatic 1B2 state of ozone. E. Scifoni, F.A. Gianturco, S. Yu. Grebenshchikov, and R. Schinke, J. Chem. Phys. 125, 164304-1-9 (2006). Energies and spatial features for the rotationless bound states of 4He3+(2Σ+g ): A cationic core from helium cluster ionization. L. Lammich, S. Altevogt, H. Buhr, H. Kreckel, S. Krohn, M. Lange, D. Strasser, R. Repnow, M. Grieser, R. Schinke, Z.-W. Qu, H. Zhu, D. Schwalm, D. Zajfman, and A. Wolf, Eur. Phys. J. D 41, 103-111 (2007). Electron-impact dissociation and transient properties of a stored LiH2- beam. L. Adam, W. Hack, G. C. Mcbane, H. Zhu, Z.-W. Qu, and R. Schinke, J. Chem. Phys. 126, 034304-1-13 (2007). Exploring Renner-Teller induced quenching in the reaction H(2S) + NH(a1∆): A combined experimental and theoretical study. M. V. Ivanov, H. Zhu, and R. Schinke, J. Chem. Phys. 126, 054304-1-12 (2007). Theoretical investigation of exchange and recombination reactions in O(3P) + NO(2Π) collisions. M. V. Ivanov, R. Schinke, and G. C. McBane, Mol. Phys. 105, 1183-1191 (2007). Theoretical investigation
261.
262.
263.
264.
265.
266.
267.
268.
269.
270.
271.
272.
273.
274.
of vibrational relaxation of NO(2Π), O2(3Σg-), and N2(1Σg+) in collisions with O(3P). S. Yu. Grebenshchikov, Z.-W. Qu, H. Zhu, and R. Schinke, Phys. Chem. Chem. Phys. 9, 2044-2064 (2007). New theoretical investigations of the photodissociation of ozone in the Hartley, Huggins, Chappuis, and Wulf bands. S. Yu. Grebenshchikov and R. Schinke, J. Chem. Phys. 126, 247101-3 (2007). Comment on “Theory of the photodissociation of ozone in the Hartley continuum: Potential energy surfaces, conical intersections, and photodissociation dynamics” [J. Chem. Phys. 123, 014306 (2005)]. R. Schinke and S. Yu. Grebenshchikov, Phys. Chem. Chem. Phys. 9, 4026-4029 (2007). Comment on “Theory of the photodissociation of ozone in the Hartley continuum; effect of vibrational excitation and O(1D) atom velocity disribution” by E. Baloı¨tcha and G. G. Balint-Kurti, Phys. Chem. Chem. Phys., 7, 3829 (2005). R. Schinke and S. Yu. Grebenshchikov, Chem. Phys. 347, 279-287 (2008). On the photodissociation of ozone in the range of 5-9 eV. R. Schinke, S. Yu. Grebenshchikov, and H. Zhu, Chem. Phys. 346, 99-114 (2008). The photodissociation of NO2 in the second absorption band: Ab initio and quantum dynamics calculations. R. Schinke, J. Chem. Phys. 129, 124303-1-8 (2008). ˜ f C˜ emission spectrum of Theoretical study of the D NO2. Z.-W. Qu, H. Zhu, V. May, and R. Schinke, J. Phys. Chem. B 113, 4817-4825 (2009). Time-dependent density functional theory study of the electronic excitation spectra of chlorophyllide a and pheophorbide a in solvents. M. V. Ivanov, S. Yu Grebenshchikov, and R. Schinke, J. Chem. Phys. 130, 174311-1-10 (2009). Quantum mechanical study of vibrational energy transfer in Ar-O3 collisions: Influence of symmetry. R. Schinke, G.C. McBane, L. Shen, P.C. Singh, and A.G. Suits, J. Chem. Phys. 131, 011101-1-4 (2009). Production of O2 Herzberg states in the deep UV photodissociation of ozone. S. C. Farantos, R. Schinke, H. Guo, and M. Joyeux, Chem. ReV. 109, 4248-4271 (2009). Energy localization in molecules, bifurcation phenomena, and their spectroscopic signatures: The global view. S. Yu. Grebenshchikov and R. Schinke, J. Chem. Phys. 131, 181103-1-4 (2009). Toward quantum mechanical description of the unconventional mass-dependent isotope effect in ozone: Resonance recombination in the strong collision approximation. P. Defazio, C. Petrongolo, G. C. McBane, L. Adam, W. Hack, S. Akpinar, and R. Schinke, J. Phys. Chem. A 113, 14458-14464 (2009). Relaxation of NH (a1∆, V ) 1) in collisions with H(2S): An experimental and theoretical study. Z. Sun, L. Liu, S. Y. Lin, R. Schinke, H. Guo, and D. H. Zhang, Proc. Natl. Acad. Sci. 107, 555-558 (2010). State-to-state quantum dynamics of O + O2 isotope exchange reactions reveals nonstatistical behavior at atmospheric conditions. R. Schinke and G. C. McBane, J. Chem. Phys. 132, 044305-1-16 (2010). Photodissociation of ozone in the
J. Phys. Chem. A, Vol. 114, No. 36, 2010 9605 Hartley band: Potential energy surfaces, nonadiabatic couplings, and singlet/triplet branching ratio. 275. M. V. Ivanov and R. Schinke, Mol. Phys. 108, 259-268 (2010). Vibrational energy transfer in Ar-O3 collisions: Comparison of rotational sudden, breathing sphere, and classical calculations. 276. S. Ndengue, F. Gatti, R. Schinke, H.-D. Meyer, and R. Jost, J. Phys. Chem. A 114, submitted (2010). Absorption cross section of ozone isotopologues calculated with
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
