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Computational Chemistry Approach to Space Chemistry

Published online by Cambridge University Press:  07 August 2017

Y. Ellinger
Y. Ellinger*
Affiliation:
Ecole Normale Supérieure et Observatoire de Paris 24 Rue Lhomond 75005 Paris France

Abstract

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This review paper presents the results of state of the art Quantum Chemistry calculations in the field of Astrochemistry. It provides selected examples to illustrate the possible contribution of molecular orbital theories to solving a number of problems of astrophysical interest ranging from identification of new molecules to IR emission analysis and rate constants determinations.

Type
Basic Studies
Information
Symposium - International Astronomical Union , Volume 150: Astrochemistry of Cosmic Phenomena , 1992 , pp. 31 - 38
Copyright
Copyright © Kluwer 1992 

References

REFERENCES

1. Gausset, L., Herzberg, G., Lagerqvist, A., and Rosen, A., (1965) Ap. J. , 142, 45 Google Scholar
2. Michalopoulos, D.L., Geisic, M.E., Landridge-Smith, P.R.R., and Smalley, R.E., (1984) J. Chem. Phys. , 80, 3556 Google Scholar
3. Grev, R.S., and Schaeffer, H.F. III, (1984) J. Chem. Phys. , 80, 3552 Google Scholar
4. Crofton, M.W., Jagod, M.F., Rehfuss, B.D., and Oka, T., (1989) J. Chem. Phys. , 91, 5139 Google Scholar
5. Lindh, R., Rice, J.E., and Lee, T.J., J. Chem. Phys. , (1991) 94, 8008 Google Scholar
6. Guélin, M., Cernicharo, J., Kahane, C., Gomez-Gonzalez, J., and Wamsley, C.M., (1987) Astron. Astrophys. , 175, L5 Google Scholar
7. Pauzat, F., and Ellinger, Y., (1989) Astron. Astrophys. , 216, 305 Google Scholar
8. DeFrees, D.J., and McLean, A.D., (1989) Chem. Phys Lett. , 158, 540 CrossRefGoogle Scholar
9. Pauzat, F., Ellinger, F.Y.Y., and McLean, A.D., (1991) Ap. J. , 369, L13 CrossRefGoogle Scholar
10. Leger, A. and Puget, J.L., (1984) Astron. Astrophys. , 137, L5 Google Scholar
11. Allamandola, L.J., Tielens, A.G. and Baker, J.R., (1985) Ap. J. Lett. , 290, L25 Google Scholar
12. Puget, J.L. and Leger, A., (1989) Ann. Rev. Astron. Astrophys. , 27, 161 Google Scholar
13. DeFrees, D.J., Miller, M.D., Talbi, D., Pauzat, F., and Ellinger, Y., Ap. J. , 000Google Scholar
14. Cohen, M., Tielens, A.G., Bregman, J., Witteborrn, F.C., Rank, D.M., Allamendola, L.J., Wooden, D.H., and de Muizon, M., (1989) Ap. J. , 341, 246 CrossRefGoogle Scholar
15. Zavagno, A., Cox, P., and Baluteau, J.P., (1992) Astron. Astrophys. , 000 Google Scholar
16. Ellinger, Y., Talbi, D., and Pauzat, F., (to be published) Google Scholar
17. de Muizon, M., d'Hendecourt, L.B. and Geballe, T.R., (1990) Astron. Astrophys. , 227, 526 Google Scholar
18. Mitchell, G.F., Ginsburg, J.L., and Kuntz, P.J., (1978) Ap. J, Suppl. , 38, 39 Google Scholar
19. Thaddeus, P., Guélin, M., and Linke, R.A., (1981) Ap. J. Lett. , 246, L41 Google Scholar
20. Millar, T.J., Adams, N.G., Smith, D., and Clary, D.C., (1985) M.N.R.A.S. , 216, 1025 CrossRefGoogle Scholar
21. Talbi, D., Hickman, A.P., Pauzat, F., Ellinger, Y., and Berthier, G., (1989) Ap. J. , 339, 231 Google Scholar
22. Luine, J.A., and Dunn, G.H., (1985), Ap. J. Letters , 299, L67 CrossRefGoogle Scholar
23. Bohringer, H., (1989) Chem. Phys Lett. , 122, 185 CrossRefGoogle Scholar
24. Herbst, E., DeFrees, D.J., Talbi, D., Pauzat, F., Koch, W., and McLean, A.D., (1991) J. Chem. Phys. , 94, 7842 Google Scholar