An ab initio approach to the structure and EPR parameters of formaldiminoxy radical

Chemical Physics Letters

Volumn 334, Issue 1-3, 2001, Pages 136-144

  Jaszewski, Adrian R ^a   Jezierska, Julia ^a  

^a UNIVERSITY OF WROC AW   (Poland)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0042972837     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0009-2614(00)01443-3     Document Type: Article

References (35)

1. Shapley W.A., Bacskay G.B. Theoret. Chem. Acc. 100:1998;212.
2. Cyr D.R., Leahy D.J., Osborn D.L., Continetti R.E., Neumark D.M. J. Chem. Phys. 99:1993;8751.
3. Thomas J.R. J. Am. Chem. Soc. 86:1964;1446.
4. Jezierski A. Magn. Reson. Chem. 27:1989;130.
5. Fox W.M., Symons M.C.R. J. Chem. Soc. A. 1966;1503.
6. Jaszewski A.R., Jezierska J., Krowicka M., Kalecinska E. Appl. Magn. Res. 18:2000;85.
7. Lakkaraju P.S., Zhang J., Roth H.D. J. Phys. Chem. 98:1994;2722.
8. Farmer J.B., Gardner C.L., Gerry M.C.L., McDowell C.A., Raghunathan P. J. Phys. Chem. 75:1971;2448.
9. McCluskey M., Frei H. J. Phys. Chem. 97:1993;5204.
10. Barthier G., Lemaire H., Rassat A., Veillard A. Theoret. Chim. Acta. 3:1965;213.
11. Cramer R.E., Drago R.S. J. Am. Chem. Soc. 90:1968;4790.
12. Yonezawa T., Kawamura T., Kato H. Bull. Chem. Soc. Jpn. 43:1970;74.
13. Chiu M.F., Gilbert B.C., Sutcliffe B.T. J. Phys. Chem. 76:1972;553.
14. Jaszewski A.R., Jezierska J., Jezierski A. Chem. Phys. Lett. 319:2000;611.
15. Feller D., Glendening E.D., McCullough E.A. Jr., Miller R.J. J. Chem. Phys. 99:1993;2829.
16. Carmichael I. J. Phys. Chem. 95:1991;6198.
17. Eisenhauer B.M., Wang M., Brown R.E., Labaziewicz H., Ngo M., Kettinger K.W., Mendenhall D. J. Phys. Org. Chem. 10:1997;737.
18. Balakina M.Y., Zuev M.B., Morozova I.D. J. Mol. Struct. (Theochem). 183:1989;291.
19. M.J. Frisch et al., GAUSSIAN98, Revision A.6, Gaussian Inc., Pittsburgh PA, 1998.
20. Hariharan P.C., Pople J.A. Theoret. Chim. Acta. 28:1973;213.
21. Krishnam R., Binkley J.S., Seeger R., Pople J.A. J. Chem. Phys. 72:1980;650.
22. T.H. Dunning Jr., P.J. Hay, in: H.F. Schaefer III (Ed.), Modern Theoretical Chemistry, vol. 3, Plenum, New York, 1976, p. 1.
23. Clark T., Chandrasekhar J., Spitznagel G.W., Schleyer P.v.R. J. Comp. Chem. 4:1983;294.
24. Chipman D.M. Theoret. Chim. Acta. 76:1989;73.
25. F.B. van Duijneveldt, IBM Res. J. (1971) 945.
26. W. Kutzelnigg, U. Fleischer, M. Schindler, NMR: Basic Principles and Progress, vol. 23, Springer, Berlin, 1990, p. 165.
27. Head-Gordon M., Pople J.A., Frisch M.J. Chem. Phys. Lett. 153:1988;503.
28. Pople J.A., Krishnan R., Schlegel H.B., Binkley J.S. Int. J. Quant. Chem. XIV:1978;545.
29. Pople J.A., Head-Gordon M., Raghavachari K. J. Chem. Phys. 87:1987;5968.
30. Raghavachari K., Pople J.A., Replogle E.S., Head-Gordon M. J. Phys. Chem. 94:1990;5579.
31. Sekino H., Bartlett R.J. J. Chem. Phys. 82:1985;4225.
32. Nguyen M.T., Creve S., Eriksson L.A., Vanquickenborne L.G. Mol. Phys. 91:1997;537.
33. Gauld J.W., Eriksson L.A., Radom L. J. Phys. Chem. A. 101:1997;1352.
34. Guerra M. J. Phys. Chem. 100:1996;19350.
35. Chipman D.M., Carmichael I., Feller D. J. Phys. Chem. 95:1991;4702.