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Molecular Physics
An International Journal at the Interface Between Chemistry and Physics
Volume 68, 1989 - Issue 2
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Original Articles

Nonlinear transformation of anharmonic normal coordinate force constants

Walter Thiel Theoretische Chemie, Universität GH Wuppertal, D-5600, Wuppertal 1, F.R. Germany
Pages 427-432 | Received 11 Apr 1989, Accepted 12 May 1989, Published online: 23 Aug 2006

Citations (10)

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Natalja Vogt, Jean Demaison, Sergey V. Krasnoshchekov, Nikolay F. Stepanov & Heinz Dieter Rudolph. (2017) Determination of accurate semiexperimental equilibrium structure of proline using efficient transformations of anharmonic force fields among the series of isotopologues. Molecular Physics 115:8, pages 942-951.
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Articles from other publishers (9)

Cameron J. Mackie, Alessandra Candian, Xinchuan Huang, Timothy J. Lee & Alexander G. G. M. Tielens. (2015) Linear transformation of anharmonic molecular force constants between normal and Cartesian coordinates. The Journal of Chemical Physics 142:24.
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Michaël Rey, Andrei V. Nikitin & Vladimir G. Tyuterev. (2015) First Predictions of Rotationally Resolved Infrared Spectra of Dideuteromethane ( 12 CH 2 D 2 ) From Potential Energy and Dipole Moment Surfaces . The Journal of Physical Chemistry A 119:20, pages 4763-4779.
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Michaël Rey, Andrei V. Nikitin & Vladimir G. Tyuterev. (2014) Accurate first-principles calculations for 12CH3D infrared spectra from isotopic and symmetry transformations. The Journal of Chemical Physics 141:4.
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S. V. Krasnoshchekov & N. F. Stepanov. (2014) Anharmonic Force Fields and Perturbation Theory in the Interpretation of Vibrational Spectra of Polyatomic Molecules. Russian Journal of Physical Chemistry 82:4, pages 592-602.
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Janne Pesonen. (2008) Kinetic energy operators in linearized internal coordinates. The Journal of Chemical Physics 128:4.
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Stephane Bailleux, Marcel Bogey, Jean Demaison, Hans Bürger, Michael Senzlober, Jürgen Breidung, Walter Thiel, Radek Fajgar & Josef Pola. (1997) The equilibrium structure of silene H2C=SiH2 from millimeter wave spectra and from ab initio calculations . The Journal of Chemical Physics 106:24, pages 10016-10026.
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H. Bürger, S. Ma, J. Breidung & W. Thiel. (1996) Ab   initio calculations and high resolution infrared investigation on XeF4 . The Journal of Chemical Physics 104:13, pages 4945-4953.
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P. Dréan, M. Paplewski, J. Demaison, J. Breidung, W. Thiel, H. Beckers & H. Bürger. (1996) Millimeter-Wave Spectra, ab Initio Calculations, and Structures of Fluorophosphane and Chlorophosphane . Inorganic Chemistry 35:26, pages 7671-7678.
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Jürgen Breidung & Walter Thiel. (1994) Theoretical study of the harmonic and anharmonic force fields of phosphorus pentafluoride. Journal of Molecular Structure 320, pages 39-47.
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