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Volumn 85, Issue 8, 2000, Pages 1702-1705

Electron correlation in C4N+2 carbon rings: Aromatic versus dimerized structures

Author keywords

[No Author keywords available]

Indexed keywords

CHEMICAL BONDS; ELECTRONIC STRUCTURE; GROUND STATE; ISOMERS; MONTE CARLO METHODS; NANOSTRUCTURED MATERIALS; QUANTUM THEORY;

EID: 0034247826     PISSN: 00319007     EISSN: None     Source Type: Journal    
DOI: 10.1103/PhysRevLett.85.1702     Document Type: Article
Times cited : (127)

References (28)
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  • 2
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    • and references therein
    • J. Hunter, J. Fye, and M. F. Jarrold, Science 260, 784 (1993); C.-H. Kiang and W. A. Goddard III, Phys. Rev. Lett. 76, 2515 (1996), and references therein.
    • (1996) Phys. Rev. Lett. , vol.76 , pp. 2515
    • Kiang, C.-H.1    Goddard W.A. III2
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    • J. Hutter, H. P. Lüthi, and F. Diederich, J. Am. Chem. Soc. 116, 750 (1994); R. O. Jones, J. Chem. Phys. 110, 5189 (1999).
    • (1999) J. Chem. Phys. , vol.110 , pp. 5189
    • Jones, R.O.1
  • 20
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    • L. Mitas, E. L. Shirley, and D. M. Ceperley, J. Chem. Phys. 95, 3467 (1991); L. Mitas, Comput. Phys. Commun. 96, 107 (1996).
    • (1996) Comput. Phys. Commun. , vol.96 , pp. 107
    • Mitas, L.1
  • 21
    • 0004133516 scopus 로고    scopus 로고
    • Gaussian Inc.
    • M. J. Frisch et al., GAUSSIAN98, Gaussian Inc.; M. W. Schmidt et al., GAMESS, J. Comput. Chem. 14, 1347 (1993); JAGUAR, Schrödinger Inc., 1998.
    • GAUSSIAN98
    • Frisch, M.J.1
  • 22
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    • GAMESS
    • M. J. Frisch et al., GAUSSIAN98, Gaussian Inc.; M. W. Schmidt et al., GAMESS, J. Comput. Chem. 14, 1347 (1993); JAGUAR, Schrödinger Inc., 1998.
    • (1993) J. Comput. Chem. , vol.14 , pp. 1347
    • Schmidt, M.W.1
  • 23
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    • Schrödinger Inc.
    • M. J. Frisch et al., GAUSSIAN98, Gaussian Inc.; M. W. Schmidt et al., GAMESS, J. Comput. Chem. 14, 1347 (1993); JAGUAR, Schrödinger Inc., 1998.
    • (1998) JAGUAR


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