Equilibrium geometries of cyclic SiC3 isomers

Journal of Chemical Physics

Volumn 114, Issue 7, 2001, Pages 2993-2995

  Stanton, John F ^a   Gauss, Jürgen ^b   Christiansen, Ove ^c  

^a UNIVERSITY OF TEXAS AT AUSTIN   (United States)

^b JOHANNES GUTENBERG UNIVERSITY   (Germany)

^c LUND UNIVERSITY   (Sweden)

Author keywords

[No Author keywords available]

Indexed keywords

DEFECTS; ELECTRONIC STRUCTURE; MICROWAVE SPECTROSCOPY; SILICON COMPOUNDS; TENSORS;

INTERNUCLEAR DISTANCES;

ISOMERS;

EID: 0035249459     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1327270     Document Type: Article

References (35)

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25. For the relevant equations, see I. M. Mills, in Modern Spectroscopy: Modern Research, edited by K. N. Rao and C. W. Matthews (Academic, New York, 1972), p. 115.
26. CC) for II.
27. The procedure used to determine the empirical equilibrium constants and the refinement of structures is described in J. F. Stanton and J. Gauss, Int. Rev. Phys. Chem. 19, 61 (2000).
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33. Here and in Table I, the transannular carbon atom is designated with an asterisk.
34. The quoted values include a zero-point vibrational correction of -0.2 kcal/mole, calculated from the CCSD(T)/cc-pVTZ harmonic force field.
35. 13CC (off-axis) in Ref. 3.