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20240329122006.0 |
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150212s1999 ne ob 000 0 eng d |
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|b eng
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|a 913090006
|a 922950499
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|a 9783110943269
|q (e-book)
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|a 3110943263
|q (e-book)
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|z 9789067643047
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1 |
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|a DEBSZ
|b 446768405
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|a (OCoLC)903973434
|z (OCoLC)913090006
|z (OCoLC)922950499
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|a 807256
|b MIL
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|a QD96.V53
|b Y34 1999eb
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0 |
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|a 515
|q OCoLC
|2 23/eng/20230216
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| 049 |
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|a UAMI
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| 100 |
1 |
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|a Yagola, A. G.,
|e author.
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| 245 |
1 |
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|a Inverse problems of vibrational spectroscopy /
|c A.G. Yagola [and three others].
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| 264 |
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1 |
|a Utrecht, the Netherlands :
|b VSP,
|c 1999.
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| 300 |
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|a 1 online resource (307 pages)
|
| 336 |
|
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|a text
|b txt
|2 rdacontent
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| 337 |
|
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|a computer
|b c
|2 rdamedia
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| 338 |
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|a online resource
|b cr
|2 rdacarrier
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| 490 |
1 |
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|a Inverse and ill-posed problems series
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| 504 |
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|a Includes bibliographical references.
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| 588 |
0 |
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|a Online resource; title from PDF title page (ebrary, viewed February 12, 2015).
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|a Introduction -- Chapter 1. Physical model of molecular vibrations -- 1.1. Classical theory of small vibrations. Preliminary considerations -- 1.2. Simplified quantum mechanical statement of the problem -- Chapter 2. Full statement of the vibrational problem -- 2.1. Vibrational-rotational interaction. Classical consideration -- 2.2. Centrifugal distortion. Classical consideration -- 2.2.1. Linear molecules -- 2.3. Quantum mechanical model -- 2.4. Adiabatic approximation -- 2.5. Vibrational-rotational interaction. Quantum mechanical consideration
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| 505 |
8 |
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|a 2.6. Centrifugal distortion. Quantum mechanical consideration2.7. The adiabatic theory of perturbations -- Chapter 3. Consideration of the mathematical model for molecular vibration analysis. Direct and inverse problems -- 3.1. Introduction. Parameters of the model -- 3.2. Ab initio methods -- 3.3. Results and difficulties of using ab initio methods -- 3.4. Semiempirical methods -- 3.5. Empirical methods -- Chapter 4. Vibrational problem in internal coordinates. Use of the redundant coordinate system -- 4.1. Models of a molecular force field
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| 505 |
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|a 4.2. Choice of generalized coordinates4.3. Construction of the auxiliary matrices -- 4.3.1. The matrix of kinematic coefficients -- 4.3.2. Bond stretching -- 4.3.3. Valence bond angle bending -- 4.3.4. Angle between a bond and the plane of an atomic triple -- 4.3.5. Angle between two planes (torsion coordinate) -- 4.3.6. An example of constructing the matrix B for the torsional coordinate -- 4.3.7. An example of constructing matrix G -- 4.3.8. Construction of the matrix H -- 4.3.9. The other matrices -- 4.4. Use of redundant coordinates
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|a Chapter 5. Vibrational problem in symmetry coordinates5.1. Use of molecular symmetry -- 5.2. Use of symmetry in the calculation of molecular vibrations -- 5.3. Calculation of the molecular constants 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 -- 6.1. Well-posed and ill-posed problems -- 6.2. Ill-posedness of the problem of constructing force field on the base of experimental data (inverse vibrational problem)
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| 505 |
8 |
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|a 6.3. Mathematical formulation of the inverse vibrational problem6.4. Ill-posedness of the problem of searching for a normal pseudosolution of the linear algebraic equation system (LAES) -- 6.5. Regularizing algorithms for constructing a normal pseudosolution of LAES -- 6.6. Nonlinear ill-posed problems -- 6.7. Inverse vibrational problem for a single molecule -- 6.8. Joint calculation of force field in a series of related molecules -- Chapter 7. Numerical methods -- 7.1. Searching for eigenvalues and eigenvectors -- 7.2. Minimization of functional. Simple constraints
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| 590 |
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|a ProQuest Ebook Central
|b Ebook Central Academic Complete
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| 650 |
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0 |
|a Vibrational spectra.
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| 650 |
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0 |
|a Spectrum analysis.
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| 650 |
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0 |
|a Raman spectroscopy.
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| 650 |
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0 |
|a Infrared spectroscopy.
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| 650 |
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0 |
|a Inverse problems (Differential equations)
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| 650 |
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6 |
|a Spectre de vibration.
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| 650 |
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6 |
|a Spectroscopie Raman.
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| 650 |
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6 |
|a Spectroscopie infrarouge.
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| 650 |
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6 |
|a Problèmes inverses (Équations différentielles)
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| 650 |
|
7 |
|a infrared spectroscopy.
|2 aat
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| 650 |
|
7 |
|a Infrared spectroscopy
|2 fast
|
| 650 |
|
7 |
|a Inverse problems (Differential equations)
|2 fast
|
| 650 |
|
7 |
|a Raman spectroscopy
|2 fast
|
| 650 |
|
7 |
|a Spectrum analysis
|2 fast
|
| 650 |
|
7 |
|a Vibrational spectra
|2 fast
|
| 776 |
0 |
8 |
|i Print version:
|a Yagola, A.G.
|t Inverse Problems of Vibrational Spectroscopy.
|d Tubingen : De Gruyter, ©1999
|z 9789067643047
|
| 830 |
|
0 |
|a Inverse and ill-posed problems series.
|
| 856 |
4 |
0 |
|u https://ebookcentral.uam.elogim.com/lib/uam-ebooks/detail.action?docID=3049670
|z Texto completo
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| 936 |
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|a BATCHLOAD
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| 938 |
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|a EBL - Ebook Library
|b EBLB
|n EBL3049670
|
| 938 |
|
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|a ebrary
|b EBRY
|n ebr11009062
|
| 938 |
|
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|a ProQuest MyiLibrary Digital eBook Collection
|b IDEB
|n cis13822318
|
| 938 |
|
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|a YBP Library Services
|b YANK
|n 10853153
|
| 994 |
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|a 92
|b IZTAP
|
