Basis set and method dependence of the relative energies of C 2S2H2 isomers

Chemical Physics Letters

Volumn 383, Issue 1-2, 2004, Pages 192-197

  Vijay, Dolly ^a   Priyakumar, U Deva ^a   Sastry, G Narahari ^a  

^a INDIAN INSTITUTE OF CHEMICAL TECHNOLOGY   (India)

Author keywords

[No Author keywords available]

Indexed keywords

ARTICLE; CHEMICAL STRUCTURE; ISOMER; LINEAR ENERGY TRANSFER; METHODOLOGY; MOLECULAR STABILITY;

EID: 0346219348     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2003.11.021     Document Type: Article

References (25)

1. Timoshkin A., Frenking G. J. Chem. Phys. 113:2000;8430.
2. Goddard J.D., Orlova G. J. Chem. Phys. 111:1999;7705.
3. Haddon R.C., Wasserman S.R., Wudl F., Williams G.R.J. J. Am. Chem. Soc. 102:1980;6687.
4. Schulz R., Schweig A., Hartke K., Koster J. J. Am. Chem. Soc. 105:1983;4519.
5. Rodler M., Bauder A. Chem. Phys. Lett. 114:1985;575.
6. Goddard J.D. J. Comput. Chem. 8:1989;389.
7. Diehl F., Meyer H., Schweig B.A., Hess B.A. Jr., Fabian J. J. Am. Chem. Soc. 111:1989;7651.
8. Janoschek R., Hess A.B. Jr., Fabian J. Z. Chem. 30:1990;176.
9. Jonas V., Frenking G. Chem. Phys. Lett. 177:1991;175.
10. Gonzalez L., Mo O., Yanez M. Chem. Phys. Lett. 263:1996;407.
11. Radriquez E. Biologically Active Natural Products. 1988;American Chemical Society, Washington, DC.
12. Hudson J.B., Balza F., Harris L., Towers G.H.N. Photochem. Photobiol. 57:1993;675.
13. Thydall G.S., Ravishnanhara A.R. J. Phys. Chem. 93:1989;24261.
14. Parr R.G., Yang W. Density functional theory of Atoms and Molecules. 1989;Oxford University Press, New York.
15. Koch W., Holthausen M.C. A Chemist's Guide to Density Functional Theory. 2001;Wiley, Weinheim.
16. Becke A.D. Phys. Rev. B. 38:1988;3098.
17. Becke A.D. J. Chem. Phys. 98:1993;5648.
18. Lee C., Yang W., Parr R.G. Phys. Rev. B. 37:1988;785.
19. Miechlish B., Savin A., Stoll H., Preuss H. Chem. Phys. Lett. 157:1989;200.
20. Perdew J.P., Burke K., Wang Y. Phys. Rev. B. 54:1996;16533.
21. Dunning T.H. Jr. J. Chem. Phys. 90:1989;1007.
22. Wilson A.K., Mourik T.v., Dunning T.H. Jr. J. Mol. Struct. 388:1996;339.
23. Pople J.A., Head-Gordon M., Fox D.J., Raghavachari K., Curtiss L.A. J. Chem. Phys. 90:1989;5622.
24. Curtiss L.A., Jones C., Trucks G.W., Raghavachari K., Pople J.A. J. Chem. Phys. 93:1990;2537.
25. Frisch M.J.et al. GAUSSIAN 98, Revision A.11.2. 2001;Gaussian, Inc, Pittsburgh, PA.