The rotational spectrum of trans-DCOOD: Lamb-dip measurements, THz spectroscopy and quantum-chemical calculations

Chemical Physics Letters

Volumn 502, Issue 1-3, 2011, Pages 42-47

  Cazzoli, Gabriele ^a   Puzzarini, Cristina ^a   Stopkowicz, Stella ^b   Gauss, Jürgen ^b  

^a UNIVERSITY OF BOLOGNA   (Italy)

^b JOHANNES GUTENBERG UNIVERSITY   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

ATOMIC-ORBITAL BASIS; COUPLED CLUSTERS; COUPLING CONSTANTS; DOPPLER; DOPPLER RESOLUTION; EXPERIMENTAL DETERMINATION; HIGHER FREQUENCIES; HYPERFINE CONSTANTS; HYPERFINE STRUCTURE; ISOTOPOLOGUES; LAMB-DIP MEASUREMENTS; PREDICTIVE CAPABILITIES; QUADRUPOLES; QUANTUM-CHEMICAL CALCULATION; ROTATIONAL SPECTRA; SPECTROSCOPIC PARAMETERS; THZ SPECTROSCOPY;

DEUTERIUM; ELECTRON ENERGY LEVELS; FORMIC ACID; QUANTUM CHEMISTRY;

TERAHERTZ SPECTROSCOPY;

EID: 78651255555     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2010.12.023     Document Type: Article

References (45)

1. P. Khare, N. Kumar, and S.S. Srivastava Rev. Geophys. 37 1999 227
2. H.A. Khwaja Atmos. Environ. 29 1995 127
3. L.S. Rothman, I.E. Gordon, A. Barbe, D.C. Benner, P.F. Bernath, and M. Birk J. Quantit. Spectrosc. Radiat. Transfer 110 2009 533 The HITRAN 2008 molecular spectroscopic database
4. B. Zuckerman, J.A. Ball, and C.A. Gottlieb Astrophys. J. 163 1971 L41
5. F.J. Lovas J. Phys. Chem. Ref. Data 21 1992 181
6. V. Lattanzi, A. Walters, B.J. Drouin, and J.C. Pearson Astrophys. J. 176 2008 536
7. W.M. Hocking Z. Naturforsch 31A 1976 1113
8. G. Cazzoli, C. Puzzarini, S. Stopkowicz, and J. Gauss Astron. Astrophys. 520 2010 A64
9. O.I. Baskakov, H. Bürger, and W. Jerzembeck J. Mol. Spectrosc. 193 1999 33
10. T.L. Tan, K.L. Goh, P.P. Ong, and H.H. Teo J. Mol. Spectrosc. 195 1999 324
11. K.L. Goh, P.P. Ong, H.H. Teo, and T.L. Tan Spectrochim. Acta 56A 2000 991
12. E. Willemot, D. Dangoisse, and J. Bellet J. Mol. Spectrosc. 73 1978 96
13. G. Cazzoli, and L. Dore J. Mol. Spectrosc. 143 1990 231
14. L. Dore, C. Degli Esposti, A. Mazzavillani, and G. Cazzoli Chem. Phys. Lett. 300 1999 489
15. G. Cazzoli, and L. Dore J. Mol. Spectrosc. 141 1990 49
16. G. Cazzoli, C. Puzzarini, and A.V. Lapinov Astrophys. J. 592 2003 L95
17. W. Gordy, and R.L. Cook A. Weissberger, Microwave Molecular Spectra third ed. 1984 Wiley New York
18. J.K.G. Watson J.R. Durig, Vibrational Spectra and Structure vol. 6 1977 Elsevier New York/Amsterdam
19. C.H. Townes, and A.L. Schawlow Microwave Spectroscopy 1955 McGraw-Hill New York
20. E.A.C. Lucken Nuclear Quadrupole Coupling Constants 1969 Academic Press London/New York
21. W.H. Flygare J. Chem. Phys. 41 1964 793
22. W.H. Flygare Chem. Rev. 74 1974 653
23. A. Abragam Principles of Nuclear Magnetism 1961 Oxford University Press New York
24. K. Schmidt-Rohr, and H.W. Spiess Multidimensional Solid State NMR and Polymers 1994 Academic Press New York
25. R.J. Bartlett D.R. Yarkony, Modern Electronic Structure Theory 1995 World Scientific Singapore 1047
26. K. Raghavachari, G.W. Trucks, J.A. Pople, and M. Head-Gordon Chem. Phys. Lett. 157 1989 479
27. T.H. Dunning Jr. J. Chem. Phys. 90 1989 1007
28. D.E. Woon, and T.H. Dunning Jr. J. Chem. Phys. 103 1995 4572
29. J. Demaison, M. Herman, and J. Liévin J. Chem. Phys. 126 2007 164305
30. C. Puzzarini, J.F. Stanton, and J. Gauss Int. Rev. Phys. Chem. 29 2010 273
31. J.D. Watts, J. Gauss, and R.J. Bartlett Chem. Phys. Lett. 200 1992 1
32. P. Pyykkö Z. Naturforsch. 47A 1992 189
33. J. Gauss, and J.F. Stanton J. Chem. Phys. 104 1996 2574
34. J. Gauss, and J.F. Stanton Chem. Phys. Lett. 276 1997 70
35. J.F. Stanton, and J. Gauss Int. Rev. Phys. Chem. 19 2000 61
36. J. Gauss, K. Ruud, and T. Helgaker J. Chem. Phys. 105 1996 2804
37. I.M. Mills K.N. Rao, C.W. Mathews, Molecular Spectroscopy: Modern Research 1972 Academic Press New York
38. A.A. Auer, J. Gauss, and J.F. Stanton J. Chem. Phys. 118 2003 10407
39. J.F. Stanton, C.L. Lopreore, and J. Gauss J. Chem. Phys. 108 1998 7190
40. CFour (Coupled Cluster Techniques for Computational Chemistry), A Quantum-chemical Program Package by J.F. Stanton, J. Gauss, M.E. Harding, and P.G. Szalay with Contributions from A.A. Auer et al. and the Integral Packages Molecule (J. Almlöf and P.R. Taylor), Props (P.R. Taylor), Abacus (T. Helgaker, H.J. Aa. Jensen, P. Jørgensen, J. Olsen), and ECP Routines by A.V. Mitin and C. van Wüllen. For the current version, see .
41. H.M. Pickett J. Mol. Spectrosc. 148 1991 371
42. G. Cazzoli, C. Puzzarini, M.E. Harding, and J. Gauss Chem. Phys. Lett. 473 2009 21
43. C. Puzzarini, G. Cazzoli, M.E. Harding, J. Vázquez, and J. Gauss J. Chem. Phys. 131 2009 234304
44. G. Cazzoli, L. Dore, C. Puzzarini, and J. Gauss Mol. Phys. 108 2010 2335
45. M. Kállay, and J. Gauss J. Chem. Phys. 120 2004 6841