Inverse Problems of Vibrational Spectroscopy
1st Edition
Published on 16. October 2014
VIII, 297 pages
978-3-11-094326-9 (ISBN)
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A. G. Yagola | I. V. Kochikov | G. M. Kuramshina
Inverse Problems of Vibrational Spectroscopy
Book
02/2015
1st Edition
De Gruyter
€449.00
Withdrawn from sale
A. G. Yagola | I. V. Kochikov | G. M. Kuramshina
Inverse Problems of Vibrational Spectroscopy
Book
07/1999
VSP International Science Publishers
€279.00
Article exhausted; check different version
A. G. Yagola | I. V. Kochikov | G. M. Kuramshina
Inverse Problems of Vibrational Spectroscopy
Book
07/1999
1st Edition
De Gruyter
€320.00
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Content
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.
