PUBLIKATIONER,
January 21, 1987 |
| 1. L. Holmlid and K. Rynefors, "Absolute complex
formation cross sections for alkali-alkali
halide collisions: A Monte Carlo trajectory study".
Chem.Phys. 14 (1976) 403-412. |
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2. L. Holmlid and K. Rynefors, "Realistic translational anergy distributions
for decomposition of RRKM complexes with centrifugal barrier".
Chem. Phys: 19 (1977) 261-268 |
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3. L. Holmlid and K. Rynefors, "Uniformity of Congruential Pseudorandom Number Generators.
Depence on Length and Number Sequence and Resolution". J. Comput. Physics 26 (1978) 297-306
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4. L. Holmlid and K. Rynefors, "Statistical and non-statistical features of a
long-lived collision complex model for alkali-alkali halide reactive and
non-reactive molecular beam scattering". |
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5. L. Holmlid and K. Rynefors, "Angular distributions, complex formation
cross sections and reaction probabilities evaluated by a RRKM model with the
Monte Carlso mathod". |
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6. K. Rynefors, "Computer simulations of chemical reactions - Trajectory and
unimolecular theory studies on alkali-alkali halide systems".
Thesis, Department of Physical Chemistry, University of Göteborg.
The thesis contains a summary and papers 1-5. |
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7. L. Holmlid and K. Rynefors, contribution to General Discussion, Faraday
General Discussion "Kinetics of State Selected Species", Birmingham 9-11 april, 1979.
Faraday Disc. Chem. Soc. 67 (1979) 228-229
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8. L. Holmlid and K. Rynefors, "Monte Carlo simulation of RRKM unimolecular
decomposition in molecular beam experiments. I. Basic considerations and calculational
procedure".
Chem. Phys. 60 (1981) 393-404 |
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9. K. Rynefors and L. Holmlid, "Monte Carlo simulation of RRKM unimolecular
decomposition in molecular beam experiments. II. Application to angular
distributions and absolute cross sections for the system K + RbCl".
Chem. Phys. 60 (1981) 405-420
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10. K. Rynefors and P.A. Elofson, "Total angular momentum conservation in statistical
unimolecular theory should be represented in energy space". Chem. Phys. Lett. 84 (1981)
343-347 |
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11. K. Rynefors and L. Holmlid, "The influence of long-lived collision complexes
on the mass separation in seeded molecular beams". Manuscript. |
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12. K. Rynefors, "UNIMOL: a program for Monte Carlo simulation of RRKM
unimolecular decomposition in molecular beam experiments".
Com. Phys. Comm. 27 (1982) 201-212 |
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13. K. Rynefors, "Post barrier channel effects during unimolecular decomposition
- a trajectory study of energy term variations". J. Chem. Phys. 77 (1982) 6051-6059
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14. K. Rynefors, "The transition state as position of the bottleneck in the
number of microstates - properties for centrifugal barrier complexes".
Chem. Phys. 61 (1983) 349-356 |
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15. K. Rynefors, P.A. Elofson and L. Holmlid, "Monte Carlo simulation of
RRKM unimolecular decomposition in molecular beam experiments. III.
Application to angular distributions and branching fractions for the system
K + CsF". Chem. Phys. 90 (1984) 347-360 |
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16. K. Rynefors and N. Markovic, "Dynamics of centrifugal barrier complexes".
Chem. Phys. 92 (1985) 327-336 |
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17. K. Rynefors and J. Davidsson, contribution to General Discussion, Faraday
Discussions No 75, (1983) 270-271 |
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18. K. Rynefors and G.F. Gahm, "The young sun and the atmospheres of earth".
The Observatory 105 (1985) 36-39 |
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19. K. Rynefors and S. Nordholm, "A new approach to angular momentum constraints
in bimolecular reactions". Chem. Phys. 95 (1985) 346-356 |
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20.P.A. Elofson, K. Rynefors and L Holmlid, "Monte Carlo simulation of RRKM
unimolecular decomposition in molecular beam experiments. IV.
Product OH angular and velocity distributions from
O(1D) + H2".
Chem. Phys. 100 (1985) 39-51 |
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21. K. Rynefors, P.A. Elofson and L Holmlid, "Monte Carlo simulation of
O(1D) + H2 and O(1D) + HCl - Notational
excitation of product OH radicals". Chem. Phys. 100 (1985) 53-63 |
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22. K. Rynefors, J. Davidsson and U. Wilhelmsson, "Extension of total angular
momentum representation in energy space".
Chem. Phys. Lett. 122 (1985) 442-446 |
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23. G. Nyman, K. Rynefors and W.L. Hase, "Trajectory study of CF3CN
dissociation dynamics". Chem. Phys. 110 (1986) 27-39 |
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24. N. Markovic, S. Nordholm and K. Rynefors, "On the estimation of cross
sections for the formation of triatomic collision complexes".
Chem. Phys. 108 (1986) 287-299 |
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25. K. Rynefors, L. Holmlid and P.A. Elofson, "Avoided scattering along the
relative velocity vector: Importance for crossed molecular beam experiments
involving long-lived collision complexes". J. Phys. Chem. 90 (1986) 5101-5104
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26. P.A. Elofson, K. Rynefors and L. Holmlid, "The Monte Carlo simulation of RRKM unimolecular
decomposition in molecular beam experiments. V. Product OX angular and energy
distributions from O(3P) + X2 (X=Br, I)".
Manuscript. To be submitted to Chem. Phys. |
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27. K. Rynefors, L. Holmlid and P.A. Elofson, "Kinetic integrals evaluated by Monte Carlo
averaging with applications to reactions O + X2, X=Br, I".
Manuscript. To be submitted to Chem. Phys. |
Projects which are completed but not yet (January 21 1987) in manuscript form
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28. N.Markovic, S. Nordhom and K. Rynefors, "Trajectory study of the boundary
between weak and strong coupling regions in collision complex formation".
Accepted for presentation at Faraday Discuyssion No. 84
"Dynamics of Elementary Gas Phase Reactions". |
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29. G. Nyman, K. Rynefors and L. Holmlid, "Efficient microcanonical sampling
for three-atomic molecular systems". |
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30. G. Nyman, K. Rynefors and L. Holmlid, "Dynamical tests of RRKM unimolecular decomposition
om a simplified potential energy surface".
Accepted for presentation at Faraday Discuyssion No. 84
"Dynamics of Elementary Gas Phase Reactions". |
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31. J. Davidsson and K. Rynefors, "Generalized Langevin theory for astrochemical reactions". |