A scaled ab initio potential energy surface for acetylene and vinylidene

Chemical Physics Letters

Volumn 377, Issue 5-6, 2003, Pages 582-588

  Xu, Dingguo ^a   Guo, Hua ^a   Zou, Shengli ^b,c   Bowman, J M ^b  

^a UNIVERSITY OF NEW MEXICO   (United States)

^b EMORY UNIVERSITY   (United States)

^c NORTHWESTERN UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ACETYLENE; VINYL DERIVATIVE;

ARTICLE; CALCULATION; ELECTRIC POTENTIAL; ISOMERISM; QUANTUM MECHANICS; VIBRATION;

EID: 0041729012     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0009-2614(03)01184-9     Document Type: Article

References (34)

1. Ervin K.M., Ho J., Lineberger W.C. J. Chem. Phys. 91:1989;5974.
2. Jacobson M.P., Field R.W. J. Phys. Chem. A. 104:2000;3073.
3. Levin J., Feldman H., Baer A., Ben-Hamu D., Heber O., Zajfman D., Vager Z. Phys. Rev. Lett. 81:1998;3347.
4. Carrington T., Hubbard L.M., Schaefer H.F., Miller W.H. J. Chem. Phys. 80:1984;4347.
5. Chang N.-y., Shen M.-y., Yu C.-h. J. Chem. Phys. 106:1996;3237.
6. Stanton J.F., Gauss J. J. Chem. Phys. 110:1999;6079.
7. Germann T.C., Miller W.H. J. Chem. Phys. 109:1998;94.
8. Schork R., Koppel H. J. Chem. Phys. 115:2001;7907.
9. Hayes R.L., Fattal E., Govind N., Carter E.A. J. Am. Chem. Soc. 123:2001;641.
10. Zou S., Bowman J.M. J. Chem. Phys. 116:2002;6667.
11. Zou S., Bowman J.M. J. Chem. Phys. 117:2002;5507.
12. Zou S., Bowman J.M., Brown A. J. Chem. Phys. 2003.
13. Carter S., Mills I.M., Murrell J.N. Mol. Phys. 41:1980;191.
14. Halonen L., Child M.S., Carter S. Mol. Phys. 47:1982;1097.
15. Bentley J.A., Wyatt R.E., Menou M., Leforestier C. J. Chem. Phys. 97:1992;4255.
16. Sibert E.L., Mayrhofer R.C. J. Chem. Phys. 99:1993;937.
17. Bramley M.J., Carter S., Handy N.C., Mills I.M. J. Mol. Spectrosc. 157:1993;301.
18. McCoy A.B., Sibert E.L. J. Chem. Phys. 105:1996;459.
19. Liu L., Muckerman J.T. J. Chem. Phys. 107:1997;3402.
20. Chen R., Guo H., Liu L., Muckerman J.T. J. Chem. Phys. 109:1998;7128.
21. Xu D., Li G., Xie D., Guo H. Chem. Phys. Lett. 365:2002;480.
22. Xu D., Chen R., Guo H. J. Chem. Phys. 118:2003;7273.
23. J.F. Stanton (private communication).
24. Zou S., Bowman J.M. Chem. Phys. Lett. 386:2003;421.
25. Jacobson M.P., Silbey R.J., Field R.W. J. Chem. Phys. 110:1999;845.
26. Bowman J.M., Gazdy B. J. Chem. Phys. 94:1991;816.
27. Bowman J.M., Gazdy B. J. Chem. Phys. 95:1991;6309.
28. J.M. Bowman, J. Qi, in: A. Ernesti, J.M. Huston, N.J. Wright (Eds.), Fashioning a Model: Optimization Methods in Chemcial Physics. CCP6, Daresbury, UK, 1998.
29. Meuwly M., Hutson J.M. J. Chem. Phys. 110:1999;8338.
30. Lanczos C. J. Res. Natl. Bur. Stand. 45:1950;255.
31. Chen R., Ma G., Guo H. Chem. Phys. Lett. 320:2000;567.
32. Chen R., Ma G., Guo H. J. Chem. Phys. 114:2001;4763.
33. Herman M., Lievin J., Vander Auwera J., Campargue A. Adv. Chem. Phys. 108:1999;1.
34. Strey G., Mills I.M. J. Mol. Spectrosc. 59:1976;103.