|
|
|
|
|
|
|
|
1. |
Record Nr. |
UNINA9910788832803321 |
|
|
Autore |
Yagola A. G. |
|
|
Titolo |
Inverse problems of vibrational spectroscopy / / A.G. Yagola [and three others] |
|
|
|
|
|
|
|
Pubbl/distr/stampa |
|
|
Utrecht, the Netherlands : , : VSP, , 1999 |
|
|
|
|
|
|
|
ISBN |
|
|
|
|
|
|
Edizione |
[Reprint 2014] |
|
|
|
|
|
Descrizione fisica |
|
1 online resource (307 pages) |
|
|
|
|
|
|
Collana |
|
Inverse and ill-posed problems series |
|
|
|
|
|
|
Soggetti |
|
Vibrational spectra |
Spectrum analysis |
Raman spectroscopy |
Infrared spectroscopy |
Inverse problems (Differential equations) |
|
|
|
|
|
|
|
|
Lingua di pubblicazione |
|
|
|
|
|
|
Formato |
Materiale a stampa |
|
|
|
|
|
Livello bibliografico |
Monografia |
|
|
|
|
|
Note generali |
|
Bibliographic Level Mode of Issuance: Monograph |
|
|
|
|
|
|
Nota di bibliografia |
|
Includes bibliographical references. |
|
|
|
|
|
|
Nota di contenuto |
|
Frontmatter -- Contents -- Preface -- Introduction -- Chapter 1. Physical model of molecular vibrations -- Chapter 2. Full statement of the vibrational problem -- Chapter 3. Consideration of the mathematical model for molecular vibration analysis. Direct and inverse problems -- Chapter 4. Vibrational problem in internal coordinates. Use of the redundant coordinate system -- Chapter 5. Vibrational problem in symmetry coordinates -- Chapter 6. Ill-posed problems and the regularization method. Regularizing algorithms for constructing force fields of polyatomic molecules on the base of experimental data -- Chapter 7. Numerical methods -- Chapter 8. Analysis of band intensities in vibrational spectra of polyatomic molecules -- Chapter 9. Numerical implementation of algorithms for solving problems of vibrational spectroscopy -- Chapter 10. Examples of molecular force field calculations on the basis of experimental data -- Chapter 11. Joint treatment of ab initio and experimental data in molecular force field calculations with Tikhonov's method of regularization -- Appendix Α. Systems of units used in vibrational spectroscopy -- Bibliography |
|
|
|
|
|
|
|