Further exploration of C4H4

Journal of Molecular Structure: THEOCHEM

Volumn 365, Issue 2-3, 1996, Pages 119-124

  Metropoulos, Aristophanes ^a   Chiu, Ying Nan ^b  

^a INSTITUTE OF BIOLOGY   (Greece)

^b CATHOLIC UNIVERSITY OF AMERICA   (United States)

Author keywords

Ab initio CI calculation; Cyclobutadiene; Potential energy surface

Indexed keywords

EID: 0343342715     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/0166-1280(96)04498-3     Document Type: Article

References (25)

1. T. Bally and S. Masamune, Tetrahedron 36 (1980) 343, and references therein; G. Maier, Angew. Chem. Int. Ed., 13 (1974) 425.
2. T. Bally and S. Masamune, Tetrahedron 36 (1980) 343, and references therein; G. Maier, Angew. Chem. Int. Ed., 13 (1974) 425.
3. n configuration (n = 1-4) see D.S. Schonland, Molecular Symmetry, Van Nostrand, New York, 1965.
4. K. Nakamura, Y. Osamura and S. Iwata, Chem. Phys., 136 (1989) 67.
5. H. Kollmar and V. Staemmkr, J. Am. Chem. Soc., 99 (1977) 3583; W.T. Borden and E.R. Davidson, Acc. Chem. Res., 14 (1981) 69.
6. H. Kollmar and V. Staemmkr, J. Am. Chem. Soc., 99 (1977) 3583; W.T. Borden and E.R. Davidson, Acc. Chem. Res., 14 (1981) 69.
7. A.F. Voter and W.A. Goddard, III, J. Am. Chem. Soc., 108 (1986) 2830.
8. D.H. Martin, R.L. Graham and K.F. Freed, J. Chem. Phys., 99 (1993) 7833.
9. H. Ågren, N. Correia, A. Flores-Riveros and H.J.AA. Jensen, Intern. J. Quantum Chem.: Quantum Chemisrty Symposium, 19 (1986) 237.
10. F. Fratev, V. Monev and R. Janoshek, Tetrahedron, 38 (1982) 2929; W.T. Borden, E.R. Davidson and P. Hart, J. Am. Chem. Soc., 100 (1978) 388; J.A. Jafri and M.D. Newton, J. Am. Chem. Soc., 100 (1978) 5012; R.J. Buenker and S.D. Peyerimhoff, J. Chem. Phys., 48 (1968) 354.
11. F. Fratev, V. Monev and R. Janoshek, Tetrahedron, 38 (1982) 2929; W.T. Borden, E.R. Davidson and P. Hart, J. Am. Chem. Soc., 100 (1978) 388; J.A. Jafri and M.D. Newton, J. Am. Chem. Soc., 100 (1978) 5012; R.J. Buenker and S.D. Peyerimhoff, J. Chem. Phys., 48 (1968) 354.
12. F. Fratev, V. Monev and R. Janoshek, Tetrahedron, 38 (1982) 2929; W.T. Borden, E.R. Davidson and P. Hart, J. Am. Chem. Soc., 100 (1978) 388; J.A. Jafri and M.D. Newton, J. Am. Chem. Soc., 100 (1978) 5012; R.J. Buenker and S.D. Peyerimhoff, J. Chem. Phys., 48 (1968) 354.
13. F. Fratev, V. Monev and R. Janoshek, Tetrahedron, 38 (1982) 2929; W.T. Borden, E.R. Davidson and P. Hart, J. Am. Chem. Soc., 100 (1978) 388; J.A. Jafri and M.D. Newton, J. Am. Chem. Soc., 100 (1978) 5012; R.J. Buenker and S.D. Peyerimhoff, J. Chem. Phys., 48 (1968) 354.
14. Y.-N. Chiu, Acta Physica Hungarica, 74 (1994) 427.
15. W.T. Borden, E.R. Davidson and D. Feller, J. Am. Chem. Soc., 103 (1981) 5725.
16. R.J. Buenker, S.D. Peyerimhoff, Theoret. Chim. Acta 35 (1974) 33; 39 (1975) 217.
17. R.J. Buenker, S.D. Peyerimhoff, Theoret. Chim. Acta 35 (1974) 33; 39 (1975) 217.
18. R.J. Buenker, Intern. J. Quantum Chem., 29, (1986) 435; in P. Burton (Ed.), Proc. Workshop on Quantum Chemistry and Molecular Physics, Wollongton, Australia, University Press, Wollongton, 1980; in R. Carbó, Studies in Physical and Theoretical Chemistry, Vol. 21, Current Aspects of Quantum Chemistry, Elsevier, Amsterdam, 1981, p. 17.
19. R.J. Buenker, Intern. J. Quantum Chem., 29, (1986) 435; in P. Burton (Ed.), Proc. Workshop on Quantum Chemistry and Molecular Physics, Wollongton, Australia, University Press, Wollongton, 1980; in R. Carbó, Studies in Physical and Theoretical Chemistry, Vol. 21, Current Aspects of Quantum Chemistry, Elsevier, Amsterdam, 1981, p. 17.
20. R.J. Buenker, Intern. J. Quantum Chem., 29, (1986) 435; in P. Burton (Ed.), Proc. Workshop on Quantum Chemistry and Molecular Physics, Wollongton, Australia, University Press, Wollongton, 1980; in R. Carbó, Studies in Physical and Theoretical Chemistry, Vol. 21, Current Aspects of Quantum Chemistry, Elsevier, Amsterdam, 1981, p. 17.
21. R.J. Buenker, R.A. Philips, J. Mol. Struct. (Theochem), 123 (1985) 291.
22. R. Krishnan, J.S. Binkley, R. Seeger and J.A. Pople, J. Chem. Phys., 72 (1980) 650.
23. W.T. Borden and E.R. Davidson, Acc. Chem. Res., 14 (1981) 69.
24. R. Manne, Mol. Phys., 24 (1972) 935.
25. A.C. Hurley, Introduction to the Electron Theory of Small Molecules, Academic Press, New York, 1976.