Ab initio electronic structure studies of Na2OH and its anion

Chemical Physics Letters

Volumn 349, Issue 5-6, 2001, Pages 530-536

  Choi, Cheol Ho ^a   Lee, Gang Ho ^a  

^a Kyungpook National University   (South Korea)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0042420548     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0009-2614(01)01235-0     Document Type: Article

References (27)

1. Trenary M., Schaefer III H.F., Kollman P.A. J. Chem. Phys. 68:1978;4047.
2. Curtiss L.A., Frurip D.J. Chem. Phys. Lett. 75:1980;69.
3. Bentley J. J. Am. Chem. Soc. 104:1982;2754.
4. Curtiss L.A., Pople J.A. J. Chem. Phys. 82:1985;4230.
5. Curtiss L.A., Fraka E., Gauss J., Cremer D. J. Phys. Chem. 91:1987;1080.
6. Meier P.F., Gauge R.H., Margrave J.L. J. Am. Chem. Soc. 100:1978;2108.
7. Suzer S., Andrews L. J. Am. Chem. Soc. 109:1987;300.
8. Schulz C.P., Haugstatter R., Tittes H.U., Hertel I.V. Z. Phys. D. 10:1988;279.
9. Hsiao Y.-W., Chang K.-M., Su T.-M. Chem. Phys. 162:1992;335.
10. Schleyer P.v.R., Würthwein E.-U., Pople J.A. J. Am. Chem. Soc. 104:1982;5839.
11. Schleyer P.v.R., Würthwein E.-U., Kaufmann E., Clark T., Pople J.A. J. Am. Chem. Soc. 105:1983;5930.
12. Wu C.H., Kudo H., Ihle H.R. J. Chem. Phys. 70:1978;1815.
13. Peterson K.I., Dao P.D., Castelman A.W. J. Chem. Phys. 80:1984;563.
14. Kuan T.-C., Jiang R.-C., Su T.-M. J. Chem. Phys. 92:1990;2553.
15. Würthwein E.-U., Schleyer P.v.R., Pople J.A. J. Am. Chem. Soc. 106:1984;6973.
16. Hohenberg P., Kohn W. Phys. Rev. 136:1964;B864.
17. Kohn W., Sham L.J. Phys. Rev. 140:1965;A1133.
18. Cizek J. Adv. Chem. Phys. 14:1969;35.
19. Becke A.D. J. Chem. Phys. 98:1993;5648.
20. Lee C., Yang W., Parr R.G. Phys. Rev. B. 37:1988;785.
21. Schmidt M.W., Gordon M.S. Ann. Rev. Phys. Chem. 49:1998;233.
22. Nakano H.J. Chem. Phys. 99:1993;7983.
23. Møller C., Plesset M.S. Phys. Rev. 46:1934;618.
24. Glaesemann K.R., Gordon M.S., Nakano H. PCCP. 1:1999;967.
25. Schmidt M.W.et al. J. Comp. Chem. 14:1993;1347.
26. M.J. Frisch et al., Gaussian Inc., Pittsburgh, PA, 1995.
27. Kahn O. Angew. Chem. Int. Ed. Engl. 24:1985;834.