ZPVE correction to the FIR spectrum of propanal isotopomers

Chemical Physics Letters

Volumn 436, Issue 1-3, 2007, Pages 15-18

  Villa, M ^a   Senent, M L ^b   Dominguez Gomez, R ^c  

^a DEPARTAMENTO DE QUÍMICA   (Mexico)

^b INSTITUTO DE ESTRUCTURA DE LA MATERIA   (Spain)

^c E U I T Obras Públicas   (Spain)

Author keywords

[No Author keywords available]

Indexed keywords

ALDEHYDES; INFRARED SPECTROSCOPY; ISOTOPES; MOLECULAR VIBRATIONS; PROPANE; TORSIONAL STRESS;

ALDEHYDIC TORSION; ISOTOPOMERS; METHYL TORSION SPECTRA; ZERO POINT VIBRATIONAL ENERGY CORRECTION TO THE ENERGY (ZPVE);

ISOMERS;

EID: 33846898516     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2007.01.008     Document Type: Article

References (22)

1. Vivier-Bunge A., Uc V.H., and Smeyers Y.G. J. Chem. Phys. 109 6 (1998) 2279
2. Smeyers Y.G., Villa M., Uc V.H., and Vivier-Bunge A. J. Mol. Spectrosc. 201 (2000) 62
3. Smeyers Y.G., and Villa M. J. Chem. Phys. 116 10 (2002) 4087
4. Butcher S.S., and Wilson E.B. J. Chem. Phys. 40 6 (1964) 1671
5. Sbrana G., and Schettino V. J. Mol. Spectrosc. 33 (1970) 100
6. Pickett H.M., and Scroggin D.G. J. Chem. Phys. 61 (1970) 3954
7. Chapput A., Roussel B., and Fleury G. J. Raman Spectrosc. 2 2 (1974) 117
8. Durig J.R., Compton D.A., and McArver A.Q. J. Chem. Phys. 73 2 (1980) 719
9. Van Nuffel P., Van den Enden L., Van Alsenoy C., and Geise H.J. J. Mol. Struct. 116 1-2 (1984) 99
10. Wiberg K.B., and Martin E. J. Am. Chem. Soc. 107 18 (1985) 5035
11. Frenking G., Kohler K.F., and Reetz M.T. Tetrahedron 47 43 (1991) 8991
12. Durig J.R., Guirgis G.A., Bell S., and Brewer W.E. J. Phys. Chem. A 101 49 (1997) 9240
13. Harthcock M.A., and Laane J. J. Phys. Chem. 89 20 (1985) 4231
14. Frisch M.J., et al. Gaussian 03, Revision C.02 (2004), Gaussian, Inc., Wallingford CT
15. Senent M.L. Chem. Phys. Lett. 296 3-4 (1998) 299
16. Senent M.L. Mol. Phys. 99 15 (2001) 1311
17. Senent M.L. J. Phys. Chem. A 108 30 (2004) 6286
18. Smeyers Y.G., and Villa M. Chem. Phys. Lett. 324 (2000) 273
19. Senent M.L., Moule D.C., and Smeyers Y.G. J. Chem. Phys. 102 (1995) 5952
20. Smeyers Y.G., Senent M.L., and Villa M. Adv. Quant. Chem. 32 (1999) 145
21. Smeyers Y.G., and Villa M. Chem. Phys. Lett. 235 (1995) 587
22. Szalay V., Császár A.G., and Senent M.L. J. Chem. Phys. 117 (2002) 6489