Energetics of the low-lying isomers of HCCO

Chemical Physics Letters

Volumn 383, Issue 3-4, 2004, Pages 266-269

  Sattelmeyer, Kurt W ^a   Yamaguchi, Yukio ^a   Schaefer III, Henry F ^a  

^a UNIVERSITY OF GEORGIA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ALKYL GROUP; KETENE DERIVATIVE; RADICAL;

AB INITIO CALCULATION; ARTICLE; CLUSTER ANALYSIS; ENERGY; ENERGY TRANSFER; GEOMETRY; ISOMER;

EID: 1642452912     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2003.10.157     Document Type: Article

References (31)

1. Fenimore C.P., Jones G.W. J. Chem. Phys. 39:1963;1514.
2. Peeters J., Schaekers M., Vinckier C.J. J. Phys. Chem. 90:1986;6552.
3. Frank P., Bashkaran K., Just T. Symp. Int. Combust. 21:1987;885.
4. Endo Y., Danamori H., Hirota E. Laser Chem. 7:1987;61.
5. Michael J.V., Wagner A.F. J. Phys. Chem. 94:1990;2453.
6. Schmoltner A.M., Chu P.M., Lee Y.T. J. Chem. Phys. 91:1989;5365.
7. Krisch M.J., Miller J.L., Butler L.J., Su H., Bersohn R., Shu J. J. Chem. Phys. 119:2003;176.
8. Herzberg G., Teller E. Z. Phys. Chem. Abt. B. 21:1933;410.
9. Renner R. Z. Phys. Chem. 92:1934;172.
10. Herzberg G. Molecular Spectra and Molecular Structure III, Electronic Spectra and Electronic Structure of Polyatomic Molecules. 1966;Van Nostrand, Princeton, NJ.
11. Krishnamachari S.L.N.G., Venkatasubramanian R. Prama. 23:1984;321.
12. Harding L.B. J. Phys. Chem. 85:1981;10.
13. Goddard J.D. Chem. Phys. Lett. 154:1989;387.
14. Szalay P.G., Stanton J.F., Bartlett R.J. Chem. Phys. Lett. 193:1992;573.
15. Szalay P.G., Rogarasi G., Nemes L. Chem. Phys. Lett. 263:1996;91.
16. Hu C.-H., Schaefer H.F., Hou Z., Bayes K.D. J. Am. Chem. Soc. 115:1993;6904.
17. Yamaguchi Y., Rienstra-Kiracofe J.C., Stephens J.C., Schaefer H.F. Chem. Phys. Lett. 291:1998;509.
18. J.L. Durant, private communication of unpublished results (2000).
19. Purvis G.D., Bartlett R.J. J. Chem. Phys. 76:1982;7918.
20. Raghavachari K., Trucks G.W., Pople J.A., Head-Gordon M. Chem. Phys. Lett. 157:1989;479.
21. Dunning T.H. J. Chem. Phys. 90:1989;1007.
22. Woon D.E., Dunning T.H. J. Chem. Phys. 103:1995;4572.
23. Monkhorst H.J. Int. J. Quantum Chem. S11:1977;421.
24. Koch H., Jensen H.J.Aa., Helgaker T., Jórgensen P. J. Chem. Phys. 93:1990;3345.
25. Stanton J.F., Bartlett R.J. J. Chem. Phys. 98:1993;7029.
26. Comeau D.C., Bartlett R.J. Chem. Phys. Lett. 207:1993;414.
27. Rico R.J., Lee T.J., Head-Gordon M. Chem. Phys. Lett. 218:1994;139.
28. Stanton J.F., Gauss J. J. Chem. Phys. 101:1995;8938.
29. Nooijen M., Bartlett R.J. J. Chem. Phys. 102:1995;3629.
30. Stanton J.F., Gauss J. J. Chem. Phys. 111:1999;8785.
31. Sattelmeyer K.W., Schaefer H.F., Stanton J.F. Chem. Phys. Lett. 378:2003;42.