Vibrationally excited states of HC5P: Millimetre-wave spectroscopy and coupled cluster calculations†

Physical Chemistry Chemical Physics

Volumn 5, Issue 19, 2003, Pages 4090-4095

  Bizzocchi, L ^a   Degli Esposti, C ^a   Botschwina, P ^b  

^a UNIVERSITY OF BOLOGNA   (Italy)

^b UNIVERSITY OF GÖTTINGEN   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

CYCLOPENTENE DERIVATIVE; PHOSPHAHEXATRIYNE; PHOSPHORUS DERIVATIVE; UNCLASSIFIED DRUG;

ACCURACY; ARTICLE; MATHEMATICAL COMPUTING; MOLECULAR DYNAMICS; PREDICTION; SPECTROMETRY; VIBRATION; WAVEFORM;

EID: 0142249837     PISSN: 14639076     EISSN: None     Source Type: Journal    
DOI: 10.1039/b307069g     Document Type: Article

References (15)

1. L. Bizzocchi, C. Degli Esposti and P. Botschwina, J. Chem. Phys., 2003, 119, 170.
2. L. Bizzocchi, C. Degli Esposti and P. Botschwina, Chem. Phys. Lett., 2000, 319, 411.
3. L. Bizzocchi, C. Degli Esposti and P. Botschwina, J. Chem. Phys., 2000, 113, 1465.
4. L. Bizzocchi, L. Cludi and C. Degli Esposti, J. Mol. Spectrosc., 2003, 218, 53.
5. K. Raghavachari, G. W. Trucks, J. A. Pople and M. Head-Gordon, Chem. Phys. Lett., 1989, 157, 479.
6. MOLPRO2000 is a package of ab initio programs written by H.-J. Werner and P. J. Knowles, with contributions from R. D. Amos, A. Bernhardsson, A. Berning, P. Celani, D. L. Cooper, M. J. O. Deegan, A. J. Dobbyn, F. Eckert, C. Hampel, G. Hetzer, T. Korona, R. Lindh, A. W. Lloyd, S. J. McNicholas, F. R. Manby, W. Meyer, M. E. Mura, A. Nicklass, P. Palmieri, P. Pulay, R. Pitzer, G. Rauhut, M. Schütz, H. Stoll, A. J. Stone, R. Tarroni and T. Thorsteinsson.
7. C. Hampel, K. A. Peterson and H.-J. Werner, Chem. Phys. Lett., 1992, 190, 1.
8. T. H. Dunning, Jr., J. Chem. Phys., 1989, 90, 1007.
9. D. E. Woon and T. H. Dunning, Jr., J. Chem. Phys., 1993, 98, 1358.
10. K. M. T. Yamada, F. W. Birss and M. R. Aliev, J. Mol. Spectrosc., 1985, 112, 347.
11. L. Bizzocchi, C. Degli Esposti, L. Dore and G. Cazzoli, J Mol. Spectrosc., 2001, 205, 164.
12. L. Bizzocchi, C. Degli Esposti, S. Thorwirth, H. S. P. Muller, F. Lewen and G. Winnewisser, Phys. Chem. Chem. Phys., 2001, 3, 3490.
13. A. R. Hoy, I. M. Mills and G. Strey, Mol. Phys., 1972, 24, 1265.
14. M. Hutchinson, H. W. Kroto and D. R. M. Walton, J. Mol. Spectrosc., 1980, 82, 394.
15. A. J. Alexander, H. W. Kroto and D. R. M. Walton, J. Mol. Spectrosc., 1976, 62, 175.