Carbon-oxygen clusters as hypothetical high energy-density materials

Chemical Physics

Volumn 218, Issue 1-2, 1997, Pages 21-30

  Evangelisti, Stefano ^a  

^a UNIVERSITY OF BOLOGNA   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0031570174     PISSN: 03010104     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0301-0104(97)00005-0     Document Type: Article

References (36)

1. E.T. Seidl and H.F. Schaefer III, J. Chem. Phys. 88 (1988) 7043.
2. K.S. Kim, H.S. Kim, S. Kim, J.H. Jang and H.F. Schaefer III, J. Am. Chem. Soc. 111 (1989) 7746.
3. K.S. Kim, J.H. Jang, S. Kim, B.-J. Mhin and H.F. Schaefer III, J. Chem. Phys. 92 (1990) 1887.
4. Y. Xie, H.F. Shaefer, J.H. Jang, B.J. Mhin, H.S. Kim, C.W. Yoon and K. Kim, Mol. Phys. 76 (1992) 537.
5. M.M. Francl and J.P. Chesick, J. Phys. Chem 94 (1990) 526.
6. W.J. Lauderdale, J.F. Stanton and R.J. Bartlett, J. Phys. Chem. 96 1992 1173.
7. T.J. Lee and J.E. Rice, J. Chem. Phys. 94 (1991) 1215.
8. K.M. Dumm and K. Morokuma, J. Chem. Phys. 102 (1995) 4904.
9. R. Engelke, J. Phys. Chem. 93 (1989) 5722.
10. M.T. Nguyen, J. Phys. Chem. 94 (1990) 6924; R. Engelke, J. Phys. Chem. 94 (1990) 6925.
11. M.T. Nguyen, J. Phys. Chem. 94 (1990) 6924; R. Engelke, J. Phys. Chem. 94 (1990) 6925.
12. R. Engelke, J. Phys. Chem. 96 (1992) 10789.
13. I. Alkorta, J. Elseguero, I. Rozas and A.T. Balaban, J. Mol. Struct. (Theochem) 206 (1990) 67.
14. R. Engelke and J.R. Stine, J. Phys. Chem. 94 (1990) 5689.
15. R. Engelke, J. Org. Chem. 57 (1992) 4841.
16. R. Engelke, J. Am. Chem. Soc. 115 (1993) 2961.
17. M.L. Leininger, C.D. Sherrill and H.F. Schaefer, III, J. Phys. Chem. 99 (1995) 2324.
18. A.A. Bliznyuk, M. Shen and H.F. Schaefer III, Chem. Phys. Lett. 198 (1992) 249.
19. S. Evangelists, Chem. Phys. Lett. 259 (1996) 261.
20. J.S. Wright, J. Am. Chem. Soc. 96 (1974) 4754.
21. G. Trinquier, J. Malrieu and J. Daudey, Chem. Phys. Lett. 80 (1981) 552.
22. A. Vogler, R.E. Wright and H. Kunkley, Angew. Chem. 92 (1980) 745.
23. T.-K. Ha, R. Cimiraglia and M.T. Nguyen, Chem. Phys. Lett. 83 (1981) 317.
24. H. Huber, T.-K. Ha and M.T. Nguyen, J. Mol. Struct. (Theochem) 105 (1983) 351.
25. P. Saxe and H. Schaefer III, J. Am. Chem. Soc. 105 (1983) 1760.
26. R. Engelke, P.J. Hay, D.A. Kleier and W.R. Wadt, J. Am. Chem. Soc. 106 (1984) 5439.
27. K.P. Huber and G. Herzberg, Constant of diatomic molecules (Van Nostrand, New York, 1975).
28. L. Pauling, General chemistry (Freeman, San Francisco, 1970).
29. T.H. Dunning, J. Chem. Phys. 90 (1989) 1007.
30. W.L. Jolly, Modern inorganic chemistry (McGraw-Hill, New York, 1984).
31. J.J. Lagowski, Modern inorganic chemistry (Marcel Dekker, New York, 1973).
32. The Cambridge Analytical Derivatives Package (CADPAC), Issue 5, Cambridge 1992. A suite of quantum chemistry programs developed by R.D. Amos with contributions from I.L. Alberts, J.S. Andrews, S.M. Colwell, N.C. Handy, D. Jayatilaka, P.J. Knowles, R. Kobayashi, N. Koga, K.E. Laidig, P.E. Maslen, C.W. Murray, J.E. Rice, J. Sanz, E.D. Simandiras, A.J. Stone and M-D. Su.
33. UniChem, version 3.0. Copyright 1996, Cray Research, Inc. UniChem provides a user-friendly interface to quantum mechanics programs which run on Cray Research supercomputers running the UNICOS operating system.
34. Gaussian 94, Revision C.3, M.J. Frisch, G.W. Trucks, H.B. Schlegel, P.M.W. Gill, B.G. 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, D.J. Defrees, J. Baker, J.P. Stewart, M. Head-Gordon, C. Gonzalez and J.A. Pople, Gaussian, Inc., Pittsburgh PA, 1995.
35. S. Evangelisti and L. Gagliardi, Nuovo Cimento D, in press.
36. L. Gagliardi, S. Evangelisti, P-O. Widmark and B.O. Roos, Theor. Chim. Acta, in press.