Rationalization of the π-σ(anti) aromaticity in all metal molecular clusters

Journal of Chemical Theory and Computation

Volumn 1, Issue 5, 2005, Pages 824-826

  Datta, Ayan ^a   Pati, Swapan K ^a  

^a JAWAHARLAL NEHRU CENTRE FOR ADVANCED SCIENTIFIC RESEARCH   (India)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 27744542699     PISSN: 15499618     EISSN: 15499626     Source Type: Journal    
DOI: 10.1021/ct0501351     Document Type: Article

References (16)

1. Li, X.; Kuznetsov, A.; Zhang, H.-F.; Boldyrev, A. I.; Wang, L. Science 2001, 291, 859.
2. Li, X.; Zhang, H.-F.; Wang, L.-S.; Kuznetsov, A. E.; Cannon, N. A.; Boldyrev, A. I. Angew. Chem. Int. Ed. 2001, 40, 1867.
3. Kuznetsov, A.; Boldyrev, A. I.; Li, X.; Wang, L.-S. J. Am. Chem. Soc. 2001, 123, 8825.
4. Kuznetsov, A.; Birch, K.; Boldyrev, A. I.; Li, X.; Zhai, H.; Wang, L. Science 2003, 300, 622.
5. Datta, A.; Pati, S. K. J. Am. Chem. Soc. 2005, 127, 3496.
6. Chen, Z.; Corminboeuf, C.; Heine, T.; Bohmann, J.; Schleyer, P. V. R. J. Am. Chem. Soc. 2003, 125, 13930.
7. Ritter, S. Chem. Eng. News 2003, 81, 23.
8. Santos, J. C.; Andres, J.; Aizman, A.; Fuentealba, P. J. Chem. Theory Comput. 2005, 1, 83.
9. Shaik, S. S.; Hiberty, P. C. J. Am. Chem. Soc. 1985, 107, 3089.
10. Shaik, S. S.; Hiberty, P. C.; Lefour, J.-M.; Ohanessian, G. J. Am. Chem. Soc. 1987, 109, 363.
11. Frisch, M. J.; et al. Gaussian 03.
12. Boldyrev, A. I.; Wang, L.-S. J. Phys. Chem. A 2001, 105, 10759.
13. Hilberty, P. C.; Shaik, S. S.; Lefour, J.-M.; Ohanessian, G. J. Org. Chem. 1985, 50, 4657.
14. Jug, K.; Hiberty, P. C.; Shaik, S. Chem. Rev. 2001, 101, 1477.
15. Shaik, S.; Shurki, A.; Danovich, D.; Hiberty, P. C. Chem. Rev. 2001, 101, 1501.
16. Jug, K.; Koster, A. M. J. Am. Chem. Soc. 1990, 112, 6772.