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Programs for calculations of anharmonic vibrations of molecules

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Literature cited

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    L. A. Gribov, "Solution of the problem of anharmonic vibrations of Large amplitude of polyatomic molecules in the exact natural vibrational coordinates," Opt. Spektrosk.,31, 842–845 (1971).

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    I. Suzuki, "Anharmonic potential function of simple molecules. I. Direct numerical diagonalization of vibrational Hamiltonian matrix and its application to CO and HC," Bull. Chem. Soc. Jpn.,44, 3277–3287 (1971).

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    V. A. Dement'ev, V. I. Smirnov, and L. A. Gribov, "FORTRAN programs for calculation of molecular vibrations," Dep. in VINITI, Reg. No. 4018-76, RIS Khimiya, No. 5, ref. 5B59 (1977).

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    L. A. Gribov and N. I. Prokof'eva, "An algorithm for calculation of corrections to the kinematic anharmonicity in the theory of the vibrations of polyatomic molecules," Opt. Spektrosk.,45, 899–902 (1978).

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Additional information

Translated from Zhurnal Prikladnoi Spektroskopii, Vol.33, No. 5, pp. 904–907, November, 1980.

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Pavlyuchko, A.I., Gribov, L.A. Programs for calculations of anharmonic vibrations of molecules. J Appl Spectrosc 33, 1247–1250 (1980). https://doi.org/10.1007/BF00615556

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Keywords

  • Analytical Chemistry
  • Molecular Structure
  • Anharmonic Vibration