Theoretical study of the reaction mechanism of ScO with molecular hydrogen

Chemical Physics Letters

Volumn 341, Issue 3-4, 2001, Pages 393-399

  Hwang, Der Yan ^a   Mebel, Alexander M ^b  

^a TAMKANG UNIVERSITY   (Taiwan)

^b INSTITUTE OF ATOMIC AND MOLECULAR SCIENCES   (Taiwan)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0000537320     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0009-2614(01)00502-4     Document Type: Article

References (30)

1. Kubas G.J. Acc. Chem. Res. 21:1988;120.
2. Crabtree R.H. Acc. Chem. Res. 23:1990;95.
3. Hwang D.-Y., Mebel A.M. Chem. Phys. Lett. 321:2000;95.
4. Hwang D.-Y., Mebel A.M. J. Am. Chem. Soc. 122:2000;11406.
5. Clemmer D.E., Aristov N., Armentrout P.B. J. Phys. Chem. 97:1993;544.
6. Chen Y.M., Clemmer D.E., Armentrout P.B. J. Phys. Chem. 98:1994;11490.
7. Clemmer D.E., Chen Y.M., Aristov N., Armentrout P.B. J. Phys. Chem. 98:1994;7531.
8. Argeitier J.K., Knight A.M., Duncan M.A. Chem. Phys. Lett. 313:1999;162.
9. Hauge R.H., Kauffman J.W., Margrave J.L. J. Am. Chem. Soc. 102:1980;6005.
10. Kauffman J.W., Hauge R.H., Margrave J.L. J. Phys. Chem. 89:1985;3541.
11. Kauffman J.W., Hauge R.H., Margrave J.L. J. Phys. Chem. 89:1985;3547.
12. Liu K., Parson J.M. J. Chem. Phys. 68:1978;1794.
13. Knight L.B. Jr., Gregory B., Cleveland J., Arrington C.A. Chem. Phys. Lett. 204:1993;168.
14. Tilson J.L., Harrison J.F. J. Phys. Chem. 95:1991;5097.
15. Ye S. J. Mol. Struct. (Theochem.). 417:1997;157.
16. Irigoras A., Fowler J.E., Ugalde J.M. J. Phys. Chem. A. 102:1997;293.
17. Irigoras A., Fowler J.E., Ugalde J.M. J. Am. Chem. Soc. 121:1999;574.
18. Irigoras A., Fowler J.E., Ugalde J.M. J. Am. Chem. Soc. 121:1999;8549.
19. NIST Chemistry Webbook, NIST Standard Reference DataBase Number 69, November 1998 release. http://webbook.nist.gov/chemistry/.
20. Zhang L., Dong J., Zhou M. J. Phys. Chem. A. 104:2000;8882.
21. Becke A.D. J. Chem. Phys. 98:1993;5648.
22. Lee C., Yang W., Parr R.G. Phys. Rev. B. 37:1988;785.
23. Hehre W.J., Radom L., Schleyer P.v.R., Pople J.A. Ab Initio Molecular Orbital Theory. 1986;Wiley, New York.
24. Gonzales C., Schlegel H.B. J. Chem. Phys. 90:1989;2154.
25. Purvis G.D., Bartlett R.J. J. Chem. Phys. 76:1982;1910.
26. M.J. Frisch, et al., GAUSSIAN 98, Revision A.7, Gaussian Inc., Pittsburgh, PA, 1998.
27. D.-Y. Hwang, A.M. Mebel, Submitted for publication.
28. Mitchell S.A., Blitz A., Siegbahn P.E.M., Svensson M. J. Chem. Phys. 100:1994;423.
29. Fournier R. Theor. Chim. Acta. 91:1995;129.
30. Merer A.J. Annu. Rev. Phys. Chem. 40:1989;407.