The importance of molecular vibrations: The sign change of the optical rotation of methyloxirane

Angewandte Chemie - International Edition

Volumn 44, Issue 23, 2005, Pages 3594-3596

  Ruud, Kenneth ^a   Zanasi, Riccardo ^b  

^a UNIVERSITY OF TROMSØ   (Norway)

^b UNIVERSITY OF SALERNO   (Italy)

Author keywords

Ab initio calculations; Density functional calculations; Methyloxirane; Optical rotation; Vibrational corrections

Indexed keywords

DERIVATIVES; LIGHT EMISSION; METHANE; OPTICAL SYSTEMS; PHASE EQUILIBRIA;

COUPLED CLUSTERS; INCIDENTAL LIGHT; OPTICAL ROTATIONS;

MOLECULAR VIBRATIONS;

EID: 20644438006     PISSN: 14337851     EISSN: None     Source Type: Journal    
DOI: 10.1002/anie.200500642     Document Type: Article

References (12)

1. T. Müller, K. B. Wiberg, P. H. Vaccaro, J. Phys. Chem. A 2000, 104, 5959.
2. E. Giorgio, C. Rosini, R. G. Viglione, R. Zanasi, Chem. Phys. Lett. 2003, 376, 452.
3. M. C. Tam, N. J. Russ, D. T. Crawford, J. Chem. Phys. 2004, 121, 3550.
4. J. Kongsted, T. B. Pedersen, M. Strange, A. Osted, A. E. Hansen, K. V. Mikkelsen, F. Pawlowski, P. Jørgensen, C. Hättig, Chem. Phys. Lett. 2005, 401, 385.
5. C. Diederich, S. Grimme, J. Phys. Chem. A 2003, 107, 2524.
6. D. J. Tozer, N. C. Handy, Phys. Chem. Chem. Phys. 2000, 2, 2117.
7. K. Ruud, P. R. Taylor, P.-O. Åstrand, Chem. Phys. Lett. 2001, 337, 215.
8. P.-O. Åstrand, K. Ruud, P. R. Taylor, J. Chem. Phys. 2000, 112, 2655.
9. K. Ruud, P.-O. Åstrand, P. R. Taylor, J. Chem. Phys. 2000, 112, 2668.
10. P. J. Stephens, F. J. Devlin, J. R. Cheeseman, M. J. Frisch, J. Phys. Chem. A 2001, 105, 5356.
11. T. H. Dunning, Jr., J. Chem. Phys. 1989, 90, 1007.
12. R. A. Kendall, T. H. Dunning, Jr., R. J. Harrison, J. Chem. Phys. 1992, 96, 6796.