書誌事項

Inverse problems of vibrational spectroscopy

A.G. Yagola [et al.]

(Inverse and ill-posed problems series)

VSP, 1999

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注記

Other authors: I.V. Kochikov, G.M. Kuramshina and Yu.A. Pentin

Bibliography : p. [289]-297

内容説明・目次

内容説明

01/07 This title is now available from Walter de Gruyter. Please see www.degruyter.com for more information.

目次

  • Physical model of molecular vibrations
  • full statement of the vibrational problem
  • consideration of the mathematical model for molecular vibration analysis - direct and inverse problems
  • vibrational problems in internal coordinates - use of the redundant coordinate system
  • vibrational problems in symmetry coordinates
  • ill-posed problems and the regularization method - regularizing algorithms for constructing force fields of poly-atomic molecules on the base of experimental data
  • numerical methods
  • analysis of band intensities in vibrational spectra of poly-atomic molecules
  • numerical implementation of algorithms for solving problems of vibrational spectroscopy
  • examples of molecular force field calculations on the basis of experimental data
  • joint treatment of ab initio and experimental data in molecular force field calculations with Tikhonov's method of regularization. Appendix: systems of units used in vibrational spectroscopy.

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詳細情報

  • NII書誌ID(NCID)
    BA44753247
  • ISBN
    • 9067643041
  • 出版国コード
    ne
  • タイトル言語コード
    eng
  • 本文言語コード
    eng
  • 出版地
    Utrecht
  • ページ数/冊数
    viii, 297 p.
  • 大きさ
    26 cm
  • 親書誌ID
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