Scaling of B3LYP cyano stretching frequencies

Comptes Rendus de L'Academie Bulgare des Sciences

Volumn 62, Issue 4, 2009, Pages 445-452

  Stoyanov, Simeon S ^a  

^a INSTITUTE OF ORGANIC CHEMISTRY   (Bulgaria)

Author keywords

Anions; Cyano group; DFT B3LYP; IR; Molecules; Scaling

Indexed keywords

EID: 69549103159     PISSN: 13101331     EISSN: None     Source Type: Journal    
DOI: None     Document Type: Article

References (18)

1. Juchnovski I. N. D. Sc. Thesis, Inst. Org. Chem., Bulg. Acad. Sci. Sofia, 1983 (and references therein).
2. Juchnovski I. N., Ch. Tsvetanov, I. Panayotov. Monatsh. Chem., 100, 1969, 1980.
3. Juchnovski I. N. Theoret. Eksp. Khim., 3, 1967, 123.
4. Juchnovski I. N., Ch. Tsvetanov, I. Panayotov. Monatsh. Chem., 101, 1970, 1271.
5. Juchnovski I. N., I. G. Binev. In: S. Patai, Z. Rappoport (eds). The Chemistry of Functional Groups, Suppl. C, Wiley, New York, 1983, Chapt. 4, pp. 107-135 (and references therein).
6. Scott A. P., L. Radom. J. Phys. Chem., 100, 1996, 16502.
7. Binev I. G., J. A. Tsenov, E. A. Velcheva, I. N. Juchnovski. J. Mol. Struct., 344,1995,205.
8. Binev I. G., J. A. Tsenov, E. A. Velcheva, V. B. Radomirska, I. N. Juchnovski. J. Mol. Struct., 378, 1996, 133.
9. Binev I. G., B. A. Stamboliyska, P. J. Vassileva-Boyadjieva, Y. I. Binev, E. A. Velcheva, J. A. Tsenov, I. N. Juchnovski. Bulg. Chem. Commun., 34 2002 170 (and references therein)
10. Georgieva M. K., E. A. Velcheva. Int. J. Quant. Chem., 106, 2006, 1316 (and references therein).
11. Gaussian-98, Revision A7, Gaussian, Inc., Pittsburg, PA, 1998.
12. Palafox, M. A. Recent Res. Develop. Phys. Chem., 2, 1998, 213.
13. Juchnovski I. N., J. A. Tsenov, I. G. Binev. Spectrochim Acta Part A, 52, 1996,1145.
14. Stoyanov S. S. Ph. D. Thesis, Inst. Org. Chem. Bulg. Acad. Sci., Sofia (in press).
15. Georgieva M. K. Ph. D. Thesis, Inst. Org. Chem. Bulg. Acad. Sci., Sofia 2004.
16. Stamboliyska B. A. Bull. Chem. Commun., 37, 2005, No 4, 289.
17. Binev Y. I. Ph. D. Thesis, Inst. Org. Chem. Bulg. Acad. Sci., Sofia, 2000.
18. Merrick J. P., D. Moran, L. Radom. J. Chys. Chem. A, 111, 2007, No 45, 11683.