Screen LibraryInverse problems of vibrational spectroscopy /
Saved in:
| Main Authors: | |
|---|---|
| Corporate Authors: | |
| Group Author: | ; |
| Published: |
De Gruyter,
|
| Publisher Address: | Berlin ; Boston : |
| Publication Dates: |
2014. ©1999 |
| Literature type: | eBook |
| Language: | English |
| Series: |
Inverse and ill-posed problems series ;
volume 15 |
| Subjects: | |
| Online Access: |
http://dx.doi.org/10.1515/9783110943269 http://www.degruyter.com/doc/cover/9783110943269.jpg |
| Carrier Form: |
1 online resource (viii, 297 pages). Also available in print edition. |
| Bibliography: | Includes bibliographical references. |
| ISBN: | 9783110943269 |
| Index Number: | QD96 |
| CLC: | O657.3 |
| Contents: |
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 . Systems of units used in vibrational spectroscopy -- Bibliography. |