Theoretical study on the reaction of methane and zinc oxide in gas phase

Journal of Molecular Structure: THEOCHEM

Volumn 778, Issue 1-3, 2006, Pages 41-48

  Su, Zhishan ^a   Qin, Song ^a   Tang, Dianyong ^a   Yang, Huaqing ^a   Hu, Changwei ^a  

^a SICHUAN UNIVERSITY   (China)

Author keywords

Formaldehyde; Methane; Syngas; Zinc oxide

Indexed keywords

EID: 33750797814     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.theochem.2006.08.041     Document Type: Article

References (36)

1. Keller G.E., and Bhasin M.M. J. Catal. 73 (1982) 9
2. Ito T., Wang J.-X., Lin C.H., and Lunsford J.H. J. Am. Chem. Soc. 107 (1985) 5062
3. Stiakaki M.-A.D., Tsipis A.C., Tsipis C.A., and Xanthopoulos C.E. J. Mol. Catal. 82 (1993) 425
4. Au C.T., Ng C.F., and Liao M.S. J. Catal. 185 (1999) 12
5. Schröder D., and Schwarz H. Angew. Chem. Int. Ed. Engl. 29 (1990) 1433
6. Ale Ebrahim H., and Jamshidi E. Energy Conversion & Management 45 (2004) 345
7. Halmann M., Frei A., and Steinfeld A. Energy 27 (2002) 1069
8. Steinfeld A., Brack M., Meier A., Weidenkaff A., and Wuillemin D. Energy 23 (1998) 803
9. Steinfeld A., Frel A., Kuhn P., and Wuillemin D. Int. J. Hydrogen Energy 20 (1995) 793
10. E. Jamshidi, H. Ale Ebrahim, Iranian Patent, No. 25994, 1998.
11. Ale Ebrahim H., and Jamshidi E. Ind. Eng. Chem. Res. 41 (2002) 2630
12. Ale Ebrahim H., and Jamshidi E. Trans. IChemE 79A (2001) 62
13. Armentrout P.B. Science 251 (1991) 175
14. Eller K., and Schwarz H. Chem. Rev. 91 (1991) 1121
15. Roth L.M., and Freiser B.S. Mass Spectrom. Rev. 10 (1991) 303
16. Weisshaar J.C. Acc. Chem. Res. 26 (1993) 213
17. Yoshihiti S., and Kazunari Y. J. Am. Chem. Soc. 122 (2000) 12317
18. Hwang D.Y., and Mebel A.M. J. Phys. Chem. A 107 (2003) 5092
19. Ferrari A.M., Huber S., Knözinger H., Heyman K.M., and Rösch N. J. Phys. Chem. B 102 (1998) 4548
20. Li C., Li G., and Xin Q. J. Phys. Chem. 98 (1994) 1933
21. Scarano D., Bertarione S., Spoto G., Zecchina A., and Otero Areán C. Thin Solid Films 400 (2001) 50
22. Zicovich-Wilson C.M., Gonza'leso-Luque R., and Viruela-Martin P.M. J. Mol. Struct. (THEOCHEM) 208 (1990) 153
23. Rodrŕguez J., Aray Y., and Ruette F. J. Mol. Struct. (THEOCHEM) 210 (1990) 323
24. Børve K.J., and Petersson L.G.M. J. Phys. Chem. 95 (1991) 3214
25. Hwang D.-Y., and Mebel A.M. Chem. Phys. Lett. 348 (2001) 303
26. Hwang D.-Y., and Mebel A.M. Chem. Phys. Lett. 365 (2002) 140
27. Hu C.W., Yang H.Q., Wong N.B., Chen Y.Q., Gong M.C., Tian A.M., Li C., and Lee W.K. J. Phys. Chem. A 107 (2003) 2316
28. Qin S., and Hu C. Z. Su J. Mol. Struct. (THEOCHEM) 719 (2005) 201
29. Zhanpeisov N.U., Zhidomirov G.M., and Baerns M. J. Mol. Catal. A: Chem. 99 (1995) 35
30. Herman R.G., Klier K., Simmons G.W., Finn B.P., Bulko J.B., and Kobylinski T.P. J. Catal. 56 (1979) 407
31. Sojka Z., Herman R.G., and Klier K. J. Chem. Soc. Chem.Commun. (1991) 185
32. M.J. Frisch, G.W. Trucks, H.B. Schlegel, G.E. Scuseria, M.A. Robb, J.R. Cheeseman, J.A. Montgomery, Jr., T. Vreven, K.N. Kudin, J.C. Burant, J.M. Millam, S.S. Iyengar, J. Tomasi, V. Barone, B. Mennucci, M. Cossi, G. Scalmani, N. Rega, G.A. Petersson, H. Nakatsuji, M. Hada, M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, M. Klene, X. Li, J.E. Knox, H.P. Hratchian, J.B. Cross, V. Bakken, C. Adamo, J. Jaramillo, R. Gomperts, R.E. Stratmann, O. Yazyev, A.J. Austin, R. Cammi, C. Pomelli, J.W. Ochterski, P.Y. Ayala, K. Morokuma, G.A. Voth, P. Salvador, J.J. Dannenberg, V.G. Zakrzewski, S. Dapprich, A.D. Daniels, M.C. Strain, O. Farkas, D.K. Malick, A.D. Rabuck, K. Raghavachari, J.B. Foresman, J.V. Ortiz, Q. Cui, A.G. Baboul, S. Clifford, J. Cioslowski, B.B. Stefanov, G. Liu, A. Liashenko, P. Piskorz, I. Komaromi, R.L. Martin, D.J. Fox, T. Keith, M.A. Al-Laham, C.Y. Peng, A. Nanayakkara, M. Challacombe, P.M. W. Gill, B. Johnson, W. Chen, M.W. Wong, C. Gonzalez, and J.A. Pople, J.A. Gaussian 03, Reversion B.05; Gaussian, Inc. Pittsburgh, PA, 2003.
33. Pople J.A., Scott A.P., Wong M.W., and Radom L. Isr. J. Chem. 33 (1993) 345
34. Reed A.E., Curtiss L.A., and Weinhold F. Chem. Rev. 88 (1988) 899
35. Reed A.E., Weinstock R.B., and Weinhold F.J. J. Chem. Phys. 83 (1985) 735
36. Hannachi Y., Mascetti J., Sitrling A., and Pápai I. J. Phys. Chem. A 107 (2003) 6708