Theoretical evidence for the reaction of N-methyl-2-pyrrolidinone with carbon disulfide

Chemical Physics Letters

Volumn 420, Issue 1-3, 2006, Pages 162-165

  Fu, Xuebing ^a   Zhang, Chong ^a   Zhang, Dongju ^a   Yuan, Shiling ^a  

^a SHANDONG UNIVERSITY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

CARBON DISULFIDE; PROBABILITY DENSITY FUNCTION; REACTION KINETICS;

ADDITION-ELIMINATION MECHANISM; N-METHYL-2-PYRROLIDINONE;

KETONES;

EID: 33344477301     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2005.12.049     Document Type: Article

References (15)

1. M. Iino, J. Kumagai, O. Ito, and J. Fuel Soc. Jpn. 64 1985 210
2. M. Iino, T. Takanohashi, S. Osuga, and K. Toda Fuel 67 1988 1639
3. M.F. Cai, and R.B. Smart Energ. Fuel. 7 1993 52
4. G. Dyrkacz Energ. Fuel. 15 2001 918
5. T. Takanohashi, F.J. Xiao, T. Yoshida, and I. Saito Energ. Fuel. 17 2003 255
6. H.F. Shui Fuel 84 2005 939
7. Z.M. Zong, Y.L. Peng, Z.H. Qin, J.Z. Liu, L. Wu, X.H. Wang, Z.G. Liu, S.L. Zhou, and X.Y. Wei Energ. Fuel. 14 2000 734
8. B.J. Wang, X.Y. Wei, and K.C. Xie J. Chem. Ind. Eng. (China) 55 2004 569
9. A.D. Becke J. Chem. Phys. 98 1993 1372
10. C. Lee, W. Yang, and R.G. Parr Phys. Rev. B 37 1988 785
11. A.D. McLean, and G.S. Chandler J. Chem. Phys. 72 1980 5639
12. P.J. Hay J. Chem. Phys. 66 1977 4377
13. M.J. Frisch Gaussian 98, Revision A. 9 1998 Gaussian Inc. Pittsburgh, PA
14. C. Gonzalez, and H.B. Schlegel J. Phys. Chem. 94 1990 5523
15. M.J. Frisch et al., Gaussian 98, Gaussian Inc., Pittsburgh, PA, 1998.