Methane activation by naked Ni0 atom: A theoretical study

Chemical Physics Letters

Volumn 355, Issue 3-4, 2002, Pages 233-240

  Yang, Hua Qing ^a   Chen, Yao Qiang ^a   Hu, Chang Wei ^a   Gong, Mao Chu ^a   Hu, Hai Rong ^a   Tian, An Min ^a   Wong, Ning Bew ^b  

^a SICHUAN UNIVERSITY   (China)

^b CITY UNIVERSITY OF HONG KONG   (Hong Kong)

Author keywords

[No Author keywords available]

Indexed keywords

METHANE; NICKEL;

ARTICLE; CHEMICAL ANALYSIS; CHEMICAL BOND; CHEMICAL REACTION KINETICS; CHEMICAL STRUCTURE; PHASE TRANSITION; PREDICTION; THEORETICAL MODEL;

EID: 0344756425     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0009-2614(02)00158-6     Document Type: Article

References (18)

1. Blomberg M.R.A., Brandemark U., Siegbahn P.E.M. J. Am. Chem. Soc. 105:1983;5557.
2. Blomberg M.R.A., Siegbahn P.E.M., Nagashima U., Wennerberg J. J. Am. Chem. Soc. 113:1991;424.
3. Burghgraef H., Jansen A.P.J., Santen R.A.V. J. Chem. Phys. 98:1993;8810.
4. Burghgraef H., Jansen A.P.J., Santen R.A.V. J. Chem. Phys. 101:1994;11012.
5. Carroll J.J., Weisshaar J.C. J. Phys. Chem. 99:1995;14388.
6. Wittborn A.M.C., Costas M., Blomberg M.R.A., Siegbahn P.E.M. J. Chem. Phys. 107:1997;4318.
7. Willis P.A., Stauffer H.U., Hinrichs R.Z., Davis H.F. J. Chem. Phys. 108:1998;2665.
8. Kratzer P., Hammer B., N ø rskov J.K. J. Chem. Phys. 105:1996;5595.
9. Yang H.-Q., Chen Y.-Q., Hu C.-W., Hu H.-R., Gong M.-C., Tian A.-M., Wong N.-B. J. Mol. Struc. (THEOCHEM). 574:2001;57.
10. Rauhut G., Pulay P. J. Phys. Chem. 99:1995;3093.
11. Reed A.E., Curtiss L.A., Weinhold F. Chem. Rev. 88:1988;899.
12. Reed A.E., Weinstock R.B., Weinhold F. J. Chem. Phys. 83:1985;735.
13. Musaev D.G., Koga N., Morokuma K. J. Phys. Chem. 97:1993;4064.
14. Au C.-T., Liao M.-S., Ng C.-F. J. Phys. Chem. A. 102:1998;3959.
15. Westerberg J., Blomberg M.R.A. J. Phys. Chem. A. 102:1998;7303.
16. Pavlov M., Blomberg M.R.A., Siegbahn P.E.M., Wesendrup R., Heinemann C., Schwarz H. J. Phys. Chem. A. 101:1997;1567.
17. Rappe A.K., Goddard III W.A. J. Am. Chem. Soc. 99:1977;3966.
18. Qin D., Lapszewicz J., Jiang X. J. Catal. 159:1996;140.