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Molecular Physics
An International Journal at the Interface Between Chemistry and Physics
Volume 56, 1985 - Issue 5
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Original Articles

Ab initio calculation of dynamic polarizability derivatives of hydrocarbon molecules

E.Nørby Svendsen Department of Chemistry, Odense University, 5230, Odense M, Denmark
&
T. Stroyer-Hansen Department of Chemistry, Odense University, 5230, Odense M, Denmark
Pages 1025-1032 | Received 29 Mar 1985, Accepted 05 Jul 1985, Published online: 23 Aug 2006

Citations (22)

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Read on this site (2)

Ashok Kumar & WilliamJ. Meath. (1992) Dipole oscillator strength properties and dispersion energies for acetylene and benzene. Molecular Physics 75:2, pages 311-324.
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Uwe Hohm & Klaus Kerl. (1990) Interferometric measurements of the dipole polarizability α of molecules between 300 K and 1100 K. Molecular Physics 69:5, pages 803-817.
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Articles from other publishers (20)

J. M. Fernández & S. Montero. (2003) Torsional selection rules, Raman tensors, and cross sections for degenerate modes of C2H6. The Journal of Chemical Physics 118:6, pages 2657-2672.
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C. A. TULK, J. A. RIPMEESTER & D. D. KLUG. (2006) The Application of Raman Spectroscopy to the Study of Gas Hydrates. Annals of the New York Academy of Sciences 912:1, pages 859-872.
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W. A. Herrebout, G. P. Everaert, B. J. van der Veken & M. O. Bulanin. (1997) On the ethene/HCl Van der Waals complexes observed in liquefied argon and liquefied nitrogen. The Journal of Chemical Physics 107:21, pages 8886-8898.
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Andrew G. Ioannou & Roger D. Amos. (1997) Time-dependent density functional theory applied to Raman scattering from methane. Chemical Physics Letters 279:1-2, pages 17-21.
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T. Stroyer-Hansen & E.Nørby Svendsen. (1997) Calculation of bond polarizability parameters of the benzene molecule. Journal of Molecular Structure 410-411, pages 349-352.
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András Stirling. (1996) Raman intensities from Kohn–Sham calculations. The Journal of Chemical Physics 104:4, pages 1254-1262.
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K. M. Gough, H. K. Srivastava & K. Belohorcová. (1993) Analysis of Raman trace scattering intensities in alkanes with the theory of atoms in molecules. The Journal of Chemical Physics 98:12, pages 9669-9677.
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George Maroulis. (1992) A study of basis set and electron correlation effects in the ab   initio calculation of the electric dipole hyperpolarizability of ethene (H2C=CH2) . The Journal of Chemical Physics 97:6, pages 4188-4194.
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E. Nørby Svendsen & T. Stroyer-Hansen. (1992) Hyper-Raman intensity calculation of hydrocarbon molecules. Journal of Molecular Structure 266, pages 423-428.
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M. Rerat, C. Pouchan, M. Tadjeddine, J. P. Flament, H. P. Gervais & G. Berthier. (1991) Calculation of dynamic polarizabilities with a multideterminental ket including a dipole-moment factor: Extrapolation method and application to , LiH, and CO . Physical Review A 43:11, pages 5832-5846.
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George Maroulis & Ajit J. Thakkar. (1990) How important is electron correlation for the hyperpolarizability of ethyne?. The Journal of Chemical Physics 93:1, pages 652-656.
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K.M. Gough & W.F. Murphy. (1990) The Raman scattering intensity parameters of acetylene. Journal of Molecular Structure 224, pages 73-88.
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K. M. Gough. (1989) Theoretical analysis of molecular polarizabilities and polarizability derivatives in hydrocarbons. The Journal of Chemical Physics 91:4, pages 2424-2432.
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M. Rérat. (1989) Electric field variant ket for the calculation of dynamic polarizabilities. Application to H 2 O and N 2 . International Journal of Quantum Chemistry 36:2, pages 169-178.
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J. M. Fernández-Sánchez & S. Montero. (1989) Gas phase Raman scattering cross sections of benzene and perdeuterated benzene. The Journal of Chemical Physics 90:6, pages 2909-2914.
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Michal Jaszuński, Antonio Rizzo & Danny L. Yeager. (1988) AB initio linear response calculations of the dipole polarizability of the acetylene molecule. Chemical Physics Letters 149:1, pages 79-84.
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K. M. Gough, W. F. Murphy, T. Stroyer-Hansen & E. No/rby Svendsen. (1987) Raman trace scattering intensity parameters for propane. The Journal of Chemical Physics 87:6, pages 3341-3346.
Crossref
K. M. Gough & W. F. Murphy. (1987) Harmonic force field and Raman trace scattering intensity parameters for cyclohexane. The Journal of Chemical Physics 87:3, pages 1509-1519.
Crossref
Jens Oddershede. 1987. Advances in Chemical Physics. Advances in Chemical Physics 201 239 .
K. M. Gough & W. F. Murphy. (1986) Intensity parameters for the Raman trace scattering of ethane. The Journal of Chemical Physics 85:8, pages 4290-4296.
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