Three-dimensional intermolecular potential energy surfaces of the Kr-OH complex

Molecular Physics

Volumn 108, Issue 17, 2010, Pages 2207-2218

  Sumiyoshi, Yoshihiro ^a   Funahara, Ippei ^a   Sato, Kazuya ^a   Ohshima, Yasuhiro ^a,b   Endo, Yasuki ^a  

^a UNIVERSITY OF TOKYO   (Japan)

^b INSTITUTE FOR MOLECULAR SCIENCE   (Japan)

Author keywords

microwave spectroscopy; OH radical; potential energy surfaces; radical complex

Indexed keywords

ATOM-DIATOM SYSTEM; FREEDOM OF MOTION; GROUND ELECTRONIC STATE; HYPERFINE STRUCTURE; INTERMOLECULAR INTERACTION ENERGIES; INTERMOLECULAR POTENTIAL ENERGY SURFACES; JACOBI COORDINATES; OBSERVED DATA; OH RADICAL; PURE ROTATIONAL TRANSITIONS; RADICAL COMPLEXES; SIMULTANEOUS ANALYSIS; VAN DER WAALS COMPLEX;

BOND LENGTH; COMPLEXATION; DEUTERIUM; FREE RADICALS; MICROWAVE SPECTROSCOPY; NEON; POTENTIAL ENERGY; POTENTIAL ENERGY SURFACES; QUANTUM CHEMISTRY; THREE DIMENSIONAL; VAN DER WAALS FORCES;

KRYPTON;

EID: 77956528507     PISSN: 00268976     EISSN: 13623028     Source Type: Journal    
DOI: 10.1080/00268976.2010.499378     Document Type: Conference Paper

References (33)

1. B.-C. Chang, J.R. Dunlop, J.M. Williamson, T.A. Miller and M.C. Heaven, Chem. Phys. Lett. 207, 62 (1993).
2. M. Yang and M.H. Alexander, J. Chem. Phys. 103, 3400 (1995).
3. C.-C. Chuang, P.M. Andrews and M.I. Lester, J. Chem. Phys. 103, 3418 (1995).
4. Y. Sumiyoshi, I. Funahara, K. Sato, Y. Ohshima and Y. Endo, Phys. Chem. Chem. Phys. 2010, in press. DOI:10.1039/c002193h.
5. A.D. Esposti and H.-J. Werner, J. Chem. Phys. 93, 3351 (1990).
6. M.-L. Dubernet, D. Flower and J.M. Hutson, J. Chem. Phys. 94, 7602 (1991).
7. M.T. Berry, M.R. Brustein, M.I. Lester, C. Chakravarty and D.C. Clary, Chem. Phys. Lett. 178, 301 (1991).
8. M.-L. Dubernet, P.A. Tuckey and J.M. Hutson, Chem. Phys. Lett. 193, 355 (1992).
9. M.-L. Dubernet and J.M. Hutson, J. Chem. Phys. 99, 7477 (1993).
10. Y. Sumiyoshi, I. Funahara, K. Sato, Y. Ohshima and Y. Endo, J. Chem. Phys. 125, 124307 (2006).
11. C.C. Carter, H.-S. Lee, A.B. McCoy and T.A. Miller, J. Mol. Struct. 525, 1 (2000).
12. M.C. Heaven, Int. Rev. Phys. Chem. 24, 375 (2005).
13. G.W. Lemire and R.C. Sausa, J. Phys. Chem. 96, 4821 (1992).
14. S. Fei, X. Zheng and M.C. Heaven, J. Chem. Phys. 97, 1655 (1992).
15. C.C. Carter, T.A. Miller, H.-S. Lee, P.P. Korambath, A.B. McCoy and E.F. Hayes, J. Chem. Phys. 110, 1508 (1999).
16. Y. Endo, H. Kohguchi and Y. Ohshima, Faraday Discuss. 97, 341 (1994).
17. Y. Sumiyoshi, H. Katsunuma, K. Suma and Y. Endo, J. Chem. Phys. 123, 054324 (2005).
18. Y. Sumiyoshi and Y. Endo, J. Chem. Phys. 123, 054325 (2005).
19. M.H. Alexander, J. Chem. Phys. 76, 5974 (1982).
20. M.H. Alexander, Chem. Phys. 92, 337 (1985).
21. R. Bukowski, J. Sadlej, B. Jeziorski, P. Jankowski, K. Szalewicz, S.A. Kucharski, H.L. Williams and B.M. Rice, J. Chem. Phys. 110, 3785 (1999).
22. T. Amano, J. Mol. Spectrosc. 103, 436 (1984).
23. K.T. Tang and J.P. Toennies, J. Chem. Phys. 80, 3726 (1984).
24. G. Knizia, T.B. Adler and H.-J. Werner, J. Chem. Phys. 130, 054104 (2009).
25. P.J. Knowles, C. Hampel and H.-J. Werner, J. Chem. Phys. 99, 5219 (1993).
26. M. Deegan and P.J. Knowles, Chem. Phys. Lett. 227, 321 (1994).
27. T.H. Dunning Jr, J. Chem. Phys. 90, 1007 (1989).
28. R.A. Kendall, T.H. Dunning Jr and R.J. Harrison, J. Chem. Phys. 96, 6796 (1992).
29. S.F. Boys and F. Bernardi, Mol. Phys. 19, 553 (1970).
30. MOLPRO is a package of ab initio programs written by H.-J. Werner and P.J. Knowles with contributions from J. Almlö f et al.
31. K. Suma, Y. Sumiyoshi and Y. Endo, J. Chem. Phys. 120, 6935 (2004).
32. Y. Sumiyoshi and Y. Endo, J. Chem. Phys. 127, 184309 (2007).
33. R.T. Bonn, M.D. Whesler and M.I. Lester, J. Chem. Phys. 112, 4942 (2000).