Decomposition dynamics of interstellar HCNH: Ab-initio MO and RRKM studies

Astronomy and Astrophysics

Volumn 397, Issue 1, 2003, Pages 1-6

  Tachikawa, H ^a   Iyama, T ^a   Fukuzumi, T ^b  

^a HOKKAIDO UNIVERSITY   (Japan)

^b Takao Nakanoshima   (Japan)

Author keywords

ISM: molecules; Molecular data; Molecular processes

Indexed keywords

CALCULATIONS; DISSOCIATION; ELECTRON TRANSITIONS; ELECTRON TUNNELING; GROUND STATE; HYDROGEN; MOLECULAR DYNAMICS; MOLECULAR ORIENTATION; POTENTIAL ENERGY;

BRANCHING RATIO; HYDROGEN DISSOCIATION REACTIONS; MOLECULAR PROCESSES; RICE-RAMSPERGER-KASSEL-MARCUS THEORY; THRESHOLD ENERGY REGION;

ASTROPHYSICS;

EID: 0037228503     PISSN: 00046361     EISSN: None     Source Type: Journal    
DOI: 10.1051/0004-6361:20021508     Document Type: Article

References (15)

1. Frisch, M. J., Trucks, G. W., Schlegel, H. B., et al., 1998 Ab-initio MO calculation program Gaussian 98, Revision A.9 (Gaussian, Inc., Pittsburgh PA)
2. Harmony, M. D., Laurie, V. W., Kuckzowski, R. L., et al., 1979, J. Phys. Chem. Ref. Data, 8, 619
3. Herzberg, G. 1966, Electronic Spectra and Electronic Structures of Polyatomic Molecules (Van Nostrand, New York)
4. Hirota, T., Yamamoto, S., Mikami, H., & Ohishi, M. 1998, ApJ, 503, 717
5. Miller, W. H. 1979, J. Am. Chem. Soc., 101, 6810
6. Schilke, P., Walmsley, C. M., Pineau des Forêts, G., et al., 1992, A&A, 256, 595
7. Shiba, Y., Hirano, T., Nagashima, U., & Ishii, K. 1998, J. Chem. Phys., 108, 698
8. Shimanouchi, T. 1972, Tables of Molecular Vibrational Frequencies Consolidated, vol. 1 (National Bureau of Standards). 1
9. Suzuki, H., Yamamoto, S., Ohishi, M., et al., 1992, ApJ, 392, 551
10. Tachikawa, H. 1999, Phys. Chem. Chem. Phys., 1, 4925
11. Talbi, D., & Ellinger, Y. 1996, Chem. Phys. Lett., 263, 385
12. Talbi, D., & Ellinger, Y. 1998, Chem. Phys. Lett., 288, 155
13. Talbi, D., Ellinger, Y., & Herbst, E. 1996, A&A, 314, 688
14. Turner, B. E. 2001, ApJS, 136, 579
15. Petterson, M., Lundell, J., Khriachtchev, L., & Rasanen, M. 1998, J. Chem. Phys., 109, 618