The conformational flexibility in N-phenylformamide: An ab initio approach supported by microwave spectroscopy

Chemical Physics Letters

Volumn 419, Issue 4-6, 2006, Pages 411-416

  Moreno, Juan Ramon Aviles ^a   Petitprez, Denis ^a   Huet, Thérèse R ^a  

^a UNIVERSITÉ DES SCIENCES ET TECHNOLOGIES DE LILLE   (France)

Author keywords

[No Author keywords available]

Indexed keywords

CONFORMATIONS; MOLECULAR BIOLOGY; PARAMETER ESTIMATION;

CONFORMATIONAL FLEXIBILITY; N-PHENYLFORMAMIDE;

PHENOLS;

EID: 32344448338     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2005.11.100     Document Type: Article

References (22)

1. V.P. Manea, K.J. Wilson, and J.R. Cable J. Am. Chem. Soc. 119 1997 2033
2. J.A. Dickinson, M.R. Hockridge, E.G. Robertson, and J.P. Simons J. Phys. Chem. A 103 1999 6938
3. P. Ottaviani, S. Melandri, A. Maris, P.G. Favero, and W. Caminati J. Mol. Spectrosc. 205 2001 173
4. S. Blanco, J.C. Lopez, A. Lessari, W. Caminati, and J.L. Alonso Mol. Phys. 103 2005 1473
5. J.-R. Aviles Moreno, T.R. Huet, D. Petitprez, J. Mol. Struct., in press.
6. J.-R. Aviles Moreno, D. Petitprez, T.R. Huet, Abstract J1, in: Proceedings of the 19th International Colloquium on High Resolution Molecular Spectroscopy, Salamanca, Spain, 2005.
7. A. Cuisset, J.R. Aviles Moreno, T.R. Huet, D. Petitprez, J. Demaison, and J. Crassous J. Phys. Chem. A 109 2005 5708
8. H.M. Pickett J. Chem. Phys. 56 1972 1715
9. H.P. Benz, A. Bauder, and Hs.H. Günthard J. Mol. Spectrosc. 21 1966 156
10. I.C. Bowater, J.M. Brown, and A. Carrington Proc. Roy. Soc. Lond. A 333 1973 265
11. H.M. Pickett J. Mol. Spectrosc. 148 1991 371
12. A.J.R. Bourn, D.G. Gillies, and E.W. Randall Tetrahedron 22 1966 1825
13. M.J. Frisch Gaussian 03, Revision B.04 2003 Gaussian Inc. Pittsburgh, PA
14. A.D. Becke Phys. Rev. B 38 1988 3098
15. A.D. Becke J. Chem. Phys. 98 1993 5648
16. C. Lee, W. Yang, and R.G. Parr Phys. Rev. B 37 1988 785
17. C. Møller, and M.S. Plesset Phys. Rev. 46 1934 618
18. T.H. Dunning Jr. J. Chem. Phys. 90 1989 1007
19. R.A. Kendall, T.H. Dunning Jr., and R.J. Harrison J. Chem. Phys. 96 1992 6796
20. G.D. Purvis, and R.J. Bartlett J. Chem. Phys. 76 1982 1910
21. T. Helgaker, P. Jorgensen, and J. Olsen Molecular Electronic Structure Theory 2002 Wiley New York (Chapter 15)
22. T. Helgaker, J. Gauss, P. Jorgensen, and J. Olsen J. Chem. Phys. 106 1997 6430