Comment on "origin of the nonplanarity of tetrafluoro cyclobutadiene, C4F4"

Journal of Physical Chemistry A

Volumn 111, Issue 23, 2007, Pages 5116-5117

  Koehler, Felix ^a   Herges, Rainer ^a   Stanger, Amnon ^b  

^a UNIVERSITY OF KIEL   (Germany)

^b TECHNION ISRAEL INSTITUTE OF TECHNOLOGY   (Israel)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 34347350108     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp070372v     Document Type: Note

References (13)

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2. For a comprehensive review about NICS, see: Chen, Z.; Chaitanya, S.; Wannere, C. S.; Corminboeuf, C.; Puchta, R.; Schleyer, P. v. R. Chem. Rev. 2005, 105, 3842.
3. Stanger, A. J. Org. Chem. 2006, 71, 883.
4. Stanger, A. Chem. - Eur. J. 2006, 12, 2745.
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6. imag = 0) and for obtaining ZPE corrections.
7. For reference NICS-scan plots of aromatic and antiaromatic systems, see references 3 and 4.
8. -1.
9. Geuenich, D.; Hess, K.; Koehler, F.; Herges, R. Chem. Rev. 2005, 105, 3758.
10. Gaussian NBO Version 3.1 was used. See. Reed, A. E.; Curtiss, L. A.; Weinhold, F. Chem. Rev. 1988, 88, 899 and references therein.
11. (a) Cremer, D.; Kraka, E. J. Am. Chem. Soc. 1985, 107, 3800.
12. (b) Stanger, A. J. Am. Chem. Soc. 1998, 120, 12034.
13. (c) Stanger, A.; Tkachenko, E. J. Comput. Chem. 2001, 22, 1377.