Portrait of diatomic FeN. A theoretical study

Chemical Physics Letters

Volumn 271, Issue 1-3, 1997, Pages 143-151

  Fiedler, Andreas ^a   Iwata, Suehiro ^a  

^a INSTITUTE FOR MOLECULAR SCIENCE   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0031555989     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0009-2614(97)00444-2     Document Type: Article

References (35)

1. [1] P.E.M. Siegbahn, M.R.A. Blomberg, Chem. Phys. 87 (1984) 189.
2. [2] M.R.A. Blomberg, P.E.M. Siegbahn, Theor. Chim. Acta 81 (1992) 365.
3. [3] T.J. Raeker, A.E. DePisto, Surf. Sci. 235 (1990) 84.
4. [4] L. Andrews, G.V. Chertihin, A. Citra, M. Neurock, J. Phys. Chem. 100 (1996) 11235.]
5. [5] G.V. Chertihin, L. Andrews, M. Neurock, J. Phys. Chem. 100 (1996) 14609.
6. [6] B.O. Roos, P.R. Taylor, P.E.M. Siegbahn. Chem. Phys. 48 (1980) 157.]
7. [7] P.E.M. Siegbahn, Lecture Notes in Quantum Chemistry, Vol. 58, B.O. Roos (Ed.), Springer, Berlin, 1992.
8. [8] C.-Y. Lee, A.E. DePisto, J. Chem. Phys. 85 (1986) 4161.]
9. [9] H.-J. Werner, P.J. Knowles, Theor. Chim. Acta 78 (1990) 175.
10. [10] R.J. Gdanitz, R. Ahlrichs, Chem. Phys. Lett. 143 (1988) 413.
11. [11] R.G. Parr, W. Yang, Density Functional Theory of Atoms and Molecules, Oxford University Press, New York, 1989.
12. [12] A.D. Becke, Phys. Rev. A 38 (1988) 2398.
13. [13] J.P. Perdew, Phys. Rev. B 34 (1986) 7406.
14. [14] A.D. Becke, J. Phys. Chem. 98 (1993) 5648. ]
15. [15] P.C. Szalay, R.P. Bartlett, Chem. Phys. Lett. 214 (1993) 481.
16. [16] R. Hoffmann, Angew. Chem. Int. Ed. Engl. 21 (1982) 711.
17. [17] A. Fiedler, D. Schröder, S. Shaik. H. Schwarz, J. Am. Chem. Soc. 116 (1994) 10734.
18. [18] A. Fiedler, J. Hrusak, W. Koch, H. Schwarz, Chem. Phys. Lett. 211 (1993) 242.
19. [19] D. Schröder. A. Fiedler, H. Schwarz, Int. J. Mass Spectrom. Ion Processes 134 (1994) 239.
20. [20] M.C. Holthausen, A. Fiedler, H. Schwarz, W. Koch, J. Phys. Chem. 100 (1996) 6236.
21. [21] J. Wang, A.D. Becke, V.H. Smith Jr., J. Chem. Phys. 102 (1995) 3477.
22. [22] G. Herzberg. Molecular Spectra and Molecular Structure, Krieger, Malabar, 1991.
23. [23] H.-J. Werner, P.J. Knowles, J. Chem. Phys. 82 (1985) 5053.
24. [24] K. Andersson, B.O. Roos. P.-Å. Malmqvist, P.-O. Widmark, Chem. Phys. Lett. 230 (1994) 391.
25. [25] P.R. Taylor, Lecture Notes in Quantum Chemistry, Vol. 58, B.O. Roos (Ed.), Springer, Berlin, 1992.
26. [26] Molpro94, H.-J. Werner, P.J. Knowles, University of Sussex, UK, 1994. and J. Almlöf, R.D. Amos, M.J.O. Deegan, S.T. Elbert, C. Hampel, W. Meyer, K. Peterson, R. Pitzer, A.J. Stone, P.R. Taylor.
27. [27] M.J. Frisch, G.W. Trucks, H.B. Schlegel. P.M.W. Gill, B.C. Johnson, M.A. Robb, J.R. Cheeseman, T. Keith, G.A. Petersson, J.A. Montgomery, K. Raghavachari, M.A. Al-Laham, V.G. Zakrzewski, J.V. Ortiz, J.B. Foresman, J. Cioslowski, B.B. Stefanov, A. Nanayakkara. M. Challacombe, C.Y. Peng, P.Y. Ayala, W. Chen, M.W. Wong, J.L. Andres, E.S. Replogle, R. Gomperts, R.L. Martin, D.J. Fox, J.S. Binkley, DJ. DeFrees, J. Baker, J.P. Stewart. M. Head-Gordon, C. Gonzalez and J.A. Pople, Gaussian 94, Revision B.2, Gaussian, Pittsburgh PA. 1995.
28. [28] R. Pou-Amerigo, M. Merchan. I. Nebot-Gill. P.-O. Widmark, B.O. Roos, Theor. Chim. Acta 92 (1995) 149.
29. [29] P.-O. Widmark, P.-Å. Malmqvist, B.O. Roos, Theor. Chim. Acta 75 (1990) 291.
30. [30] P. Pyykkö. Chem. Rev. 88 (1988) 563.
31. [31] S.F. Boys, F. Bernardi. Mol. Phys. 19 (1970) 553.
32. [32] P.E.M. Siegbahn, M.R.A. Blomberg. M. Svensson, Chem. Phys. Lett. 223 (1994) 35.
33. [33] L.A. Barnes, M. Rosi, C.W. Bauschlicher Jr., J. Chem. Phys. 93 (1990) 609.
34. [34] E.A. Carter. W.A. Goddard III, J. Phys. Chem. 92 (1988) 5679.
35. [35] T. Ziegler, J. Li, Can. J. Chem. 72 (1994) 783.