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Molecular Physics
An International Journal at the Interface Between Chemistry and Physics
Volume 39, 1980 - Issue 2
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Original Articles

Fitting molecular potential surfaces to spectroscopic observations; example carbonyl sulphide

D.H. Whiffen Department of Physical Chemistry, University of Newcastle upon Tyne, Newcastle upon Tyne, NE1 7RU, England
Pages 391-405 | Received 15 Mar 1979, Published online: 16 Aug 2006

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Read on this site (6)

J.R. Reimers & R.O. Watts. (1984) A local mode potential function for the water molecule. Molecular Physics 52:2, pages 357-381.
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M. Lacy. (1982) The anharmonic force field of carbon dioxide. Molecular Physics 45:2, pages 253-258.
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M. Lacy & D.H. Whiffen. (1982) The anharmonic force field of nitrous oxide. Molecular Physics 45:2, pages 241-252.
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M. Lacy & D.H. Whiffen. (1981) The anharmonic force field of carbon disulphide. Molecular Physics 43:6, pages 1205-1217.
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M. Lacy & D.H. Whiffen. (1981) The intercomparison of molecular force fields for triatomic molecules. Molecular Physics 43:1, pages 47-63.
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M. Lacy. (1981) Multiple solutions in the refinement of ab initio force constants. Molecular Physics 42:6, pages 1335-1343.
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Articles from other publishers (19)

David K. Hahn, Krishans S. RaghuVeer & J. V. Ortiz. (2010) Computational Tests of Quantum Chemical Models for Structures, Vibrational Frequencies, and Heats of Formation of Molecules with Phosphorus and Sulfur Atoms. The Journal of Physical Chemistry A 114:31, pages 8142-8155.
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José Zúñiga, Adolfo Bastida, Mercedes Alacid & Alberto Requena. (2001) Variational Calculations of Rovibrational Energies for CO2. Journal of Molecular Spectroscopy 205:1, pages 62-72.
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T. Strugariu, S. Naı̈m, A. Fayt, H. Bredohl, J.-F. Blavier & I. Dubois. (1998) Fourier Transform Spectroscopy of18O-Enriched Carbonyl Sulfide from 1825 to 2700 cm−1. Journal of Molecular Spectroscopy 189:2, pages 206-219.
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José Zùñiga, Mercedes Alacid, Adolfo Bastida & Alberto Requena. (1996) Variational calculations of vibrational states of N2O using hyperspherical normal coordinates. The Journal of Chemical Physics 105:15, pages 6099-6110.
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L.S. Masukidi, J.-G. Lahaye & A. Fayt. (1992) Intracavity CO and CO2 laser Stark spectroscopy of the isotopomers of carbonyl sulfide. Journal of Molecular Spectroscopy 154:1, pages 137-162.
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A. Aguilar, M. González, F. Illas, J. Rubio & R. Sayós. (1992) Quasi-classical trajectory study of the dynamics of the reaction O(3P)+CS2(X1∑+g)→CS(X1∑+)+SO(X3∑−) using two model potential energy surfaces. Chemical Physics 161:1-2, pages 99-126.
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Cynthia J. Jameson. 1991. Theoretical Models of Chemical Bonding. Theoretical Models of Chemical Bonding 457 519 .
Ronald D. Brown, Peter D. Godfrey, Donald McNaughton, Anthony P. Pierlot & William H. Taylor. (1990) Microwave spectrum of ketene. Journal of Molecular Spectroscopy 140:2, pages 340-352.
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Marlin D. Harmony, Rajiv J. Berry & William H. Taylor. (1988) Structural determinations using scaled moments of inertia: Further tests with heavy-atom systems. Journal of Molecular Spectroscopy 127:2, pages 324-336.
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Richard B. Wattson & Laurence S. Rothman. (1986) Determination of vibrational energy levels and parallel band intensities of 12C16O2 by Direct Numerical Diagonalization. Journal of Molecular Spectroscopy 119:1, pages 83-100.
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Cynthia J. Jameson & H. Jörg Osten. 1986. 1 78 .
Keiichi Tanaka, Takehiko Tanaka & Isao Suzuki. (1985) Dipole moment function of carbonyl sulfide from analysis of precise dipole moments and infrared intensities. The Journal of Chemical Physics 82:7, pages 2835-2844.
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M.R. Aliev & J.K.G. Watson. 1985. Molecular Spectroscopy: Modern Research. Molecular Spectroscopy: Modern Research 1 67 .
D.H. Whiffen. (1985) Spectroscopic constants evaluated by numerical contact transformation. Spectrochimica Acta Part A: Molecular Spectroscopy 41:1-2, pages 1-8.
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Cynthia J. Jameson & H.-Jörg Osten. (1984) The additivity of NMR isotope shifts. The Journal of Chemical Physics 81:10, pages 4293-4299.
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M. Lacy. (1984) An assessment of the anharmonic force fields of the halogen cyanides. Spectrochimica Acta Part A: Molecular Spectroscopy 40:2, pages 141-146.
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S.M. Colwell & I.C. Percival. (1983) The semiclassical determination of potential surfaces from observed spectra. II. Chemical Physics 75:2, pages 225-229.
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L. A. Gribov & G. F. Lozenko. (1982) Solution of anharmonic vibrational problems for the CF4 and C2H4 molecules by the variational method. Journal of Applied Spectroscopy 36:6, pages 693-697.
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M. L. Hoke & J. H. Shaw. (1982) Analysis of CO_2 bands near 2600 cm^−1. Applied Optics 21:5, pages 929.
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