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Applications of theoretical methods in vibrational spectroscopy : quantum/classical mixed approach / / Shoichi Yamaguchi
| Applications of theoretical methods in vibrational spectroscopy : quantum/classical mixed approach / / Shoichi Yamaguchi |
| Autore | Yamaguchi Shoichi |
| Edizione | [1st ed.] |
| Pubbl/distr/stampa | Singapore : , : Springer, , 2025 |
| Descrizione fisica | 1 online resource (xvi, 232 pages) : color illustrations |
| Disciplina | 539.6 |
| Collana | Lecture notes in chemistry |
| Soggetto topico |
Vibrational spectra
Molecular spectroscopy Chemistry, Physical and theoretical Quantum chemistry Spectrum Analysis Vibration Chemical Phenomena Chemistry, Physical |
| ISBN | 981-9646-28-6 |
| Formato | Materiale a stampa  |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Altri titoli varianti | Quantum/classical mixed approac |
| Record Nr. | UNINA-9911022453903321 |
Yamaguchi Shoichi
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| Singapore : , : Springer, , 2025 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
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Electronic absorption and internal and external vibrational data of atomic and molecular ions doped in alkali halide crystals [[electronic resource] /] / S.C. Jain, A.V.R. Warrier, and S.K. Agarwal
| Electronic absorption and internal and external vibrational data of atomic and molecular ions doped in alkali halide crystals [[electronic resource] /] / S.C. Jain, A.V.R. Warrier, and S.K. Agarwal |
| Autore | Jain S. C (Suresh C.), <1926-> |
| Pubbl/distr/stampa | Washington, [D.C.] : , : U.S. Dept. of Commerce, National Bureau of Standards, , 1974 |
| Descrizione fisica | v, 51 pages ; ; 26 cm |
| Altri autori (Persone) |
WarrierA. V. R
AgarwalS. K. <1943-> |
| Collana | NSRDS-NBS |
| Soggetto topico |
Ions - Spectra
Molecular spectroscopy Vibrational spectra Alkali metal halide crystals |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Record Nr. | UNINA-9910697868403321 |
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Jain S. C (Suresh C.), <1926->
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| Washington, [D.C.] : , : U.S. Dept. of Commerce, National Bureau of Standards, , 1974 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
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Flame and temperature measurement using vibrational spectroscopy / / Kevin McNesby
| Flame and temperature measurement using vibrational spectroscopy / / Kevin McNesby |
| Autore | McNesby Kevin L |
| Pubbl/distr/stampa | Aberdeen Proving Ground, MD : , : Army Research Laboratory, , [2001] |
| Descrizione fisica | 1 online resource (viii, 32 pages) : illustrations |
| Collana | ARL-TR |
| Soggetto topico |
Flame - Temperature - Measurement
Vibrational spectra |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Record Nr. | UNINA-9910699636903321 |
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McNesby Kevin L
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| Aberdeen Proving Ground, MD : , : Army Research Laboratory, , [2001] | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
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Inverse problems of vibrational spectroscopy / / A.G. Yagola [and three others]
| Inverse problems of vibrational spectroscopy / / A.G. Yagola [and three others] |
| Autore | Yagola A. G. |
| Edizione | [Reprint 2014] |
| Pubbl/distr/stampa | Utrecht, the Netherlands : , : VSP, , 1999 |
| Descrizione fisica | 1 online resource (307 pages) |
| Collana | Inverse and ill-posed problems series |
| Soggetto topico |
Vibrational spectra
Spectrum analysis Raman spectroscopy Infrared spectroscopy Inverse problems (Differential equations) |
| Soggetto genere / forma | Electronic books. |
| ISBN | 3-11-094326-3 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| 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 |
| Record Nr. | UNINA-9910464635403321 |
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Yagola A. G.
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| Utrecht, the Netherlands : , : VSP, , 1999 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
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Inverse problems of vibrational spectroscopy / / A.G. Yagola [and three others]
| Inverse problems of vibrational spectroscopy / / A.G. Yagola [and three others] |
| Autore | Yagola A. G. |
| Edizione | [Reprint 2014] |
| Pubbl/distr/stampa | Utrecht, the Netherlands : , : VSP, , 1999 |
| Descrizione fisica | 1 online resource (307 pages) |
| Collana | Inverse and ill-posed problems series |
| Soggetto topico |
Vibrational spectra
Spectrum analysis Raman spectroscopy Infrared spectroscopy Inverse problems (Differential equations) |
| ISBN | 3-11-094326-3 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| 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 |
| Record Nr. | UNINA-9910788832803321 |
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Yagola A. G.
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| Utrecht, the Netherlands : , : VSP, , 1999 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
| ||
Inverse problems of vibrational spectroscopy / / A.G. Yagola [and three others]
| Inverse problems of vibrational spectroscopy / / A.G. Yagola [and three others] |
| Autore | Yagola A. G. |
| Edizione | [Reprint 2014] |
| Pubbl/distr/stampa | Utrecht, the Netherlands : , : VSP, , 1999 |
| Descrizione fisica | 1 online resource (307 pages) |
| Collana | Inverse and ill-posed problems series |
| Soggetto topico |
Vibrational spectra
Spectrum analysis Raman spectroscopy Infrared spectroscopy Inverse problems (Differential equations) |
| ISBN | 3-11-094326-3 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| 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 |
| Record Nr. | UNINA-9910821995303321 |
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Yagola A. G.
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| Utrecht, the Netherlands : , : VSP, , 1999 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
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Modern polymer spectroscopy [[electronic resource] /] / edited by Giuseppe Zerbi
| Modern polymer spectroscopy [[electronic resource] /] / edited by Giuseppe Zerbi |
| Pubbl/distr/stampa | Weinheim ; ; New York, : Wiley-VCH, c1999 |
| Descrizione fisica | 1 online resource (306 p.) |
| Disciplina |
547.7046
547/.7046 |
| Altri autori (Persone) | ZerbiGiuseppe <1933-> |
| Soggetto topico |
Polymers - Analysis
Vibrational spectra |
| Soggetto genere / forma | Electronic books. |
| ISBN |
1-281-76429-9
9786611764296 3-527-61392-7 3-527-61393-5 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto |
Modern Polymer Spectroscopy; Contents; 1 Two-Dimensional Infrared Spectroscopy; 1.1 Introduction; 1.2 Background; 1.3 Basic Properties of 2D Correlation Spectra; 1.4 Instrumentation; 1.5 Applications; 2 Segmental Mobility of Liquid Crystals and Liquid-Crystalline Polymers Under External Fields: Characterization by Fourier-Transform Infrared Polarization Spectroscopy; 2.1 Introduction; 2.2 Measurement Techniques; 2.3 Theory; 2.4 Structure Dependent Alignment of Side-Chain Liquid-Crystalline Polyacrylates on Anisotropic Surfaces
2.5 Electric-Field Induced Orientation and Relaxation of Liquid-Crystalline Systems2.6 Alignment of Side-Chain Liquid-Crystalline Polyesters Under Laser Irradiation; 2.7 Orientation of Liquid-Crystals Under Mechanical Force; 2.8 Conclusions; 3 Vibrational Spectra as a Probe of Structural Order/Disorder in Chain Molecules and Polymers; 3.1 Introduction; 3.2 The Dynamical Case of Small and Symmetric Molecules; 3.3 How to Describe the Vibrations of a Molecule; 3.4 Short and Long Range Vibrational Coupling in Molecules; 3.5 Towards Larger Molecules: From Oligoiners to Polymers 3.6 From Dynamics to Vibrational Spectra of One-Dimensional Lattices3.7 The Case of Isotactic Polypropylene - A Textbook Case; 3.8 Density of Vibrational States and Neutron Scattering; 3.9 Moving Towards Reality: From Order to Disorder; 3.10 What Do We Learn from Calculations; 3.11 A Very Simple Case: Lattice Dynamics of HCI-DCl Mixed Crystals; 3.12 CIS-tram Opening of the Double Bond in the Polymerysation of Ethylene; 3.13 Defect Modes as Structural Probes in Polymethylene Chains; 3.14 Case studies:; Case 1 Conformational Mapping of Fatty Acids Through Mass Defects Case 2 Liquid Crystalline Polymers: PolyestersCase 3 Chain Folding in Polyethylene Single Crystals; Case 4 The Structure of the Skin and Core in Polyethylene Films (Normal and Ultradrawn); Case 5 Moving Towards More Complex Polymethylene Systems; 3.15 Simultaneous Configurational and Conformational Disorder. The case of Polyvynylchloride; 3.16 Structural Inhomogeneity and Raman Spectroscopy of LAM Modes; 3.17 Fermi Resonances; 3.18 Band Broadening and Conformational Flexibility; 3.19 A Worked Out Example: Froin N-Alkanes to Polyethylene. Structure and Dynamics 4 Vibrational Spectroscopy of Intact and Doped Conjugated Polymers and Their Models4.1 Introduction; 4.2 Materials; 4.3 Geometry of Intact Polymers; 4.4 Geometrical Changes Introduced by Doping; 4.5 Methodology of Raman Studies of Polarons, Bipolarons and Solitons; 4.6 Near Infrared Raman Spectroscopy; 4.7 Poly(p-phenylene); 4.8 Other Polymers; 4.9 Electronic Absorption and ESR Spectroscopies and Theory; 4.10 Mechanism of Charge Transport; 4.11 Summary; 5 Vibrational Spectroscopy of Polypeptides; 5.1 Introduction; 5.2 Force Fields; 5.3 Amide Modes; 5.4 Polypeptides; 5.5 Summary; Index |
| Record Nr. | UNINA-9910144706003321 |
| Weinheim ; ; New York, : Wiley-VCH, c1999 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
| ||
Modern polymer spectroscopy [[electronic resource] /] / edited by Giuseppe Zerbi
| Modern polymer spectroscopy [[electronic resource] /] / edited by Giuseppe Zerbi |
| Pubbl/distr/stampa | Weinheim ; ; New York, : Wiley-VCH, c1999 |
| Descrizione fisica | 1 online resource (306 p.) |
| Disciplina |
547.7046
547/.7046 |
| Altri autori (Persone) | ZerbiGiuseppe <1933-> |
| Soggetto topico |
Polymers - Analysis
Vibrational spectra |
| ISBN |
1-281-76429-9
9786611764296 3-527-61392-7 3-527-61393-5 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto |
Modern Polymer Spectroscopy; Contents; 1 Two-Dimensional Infrared Spectroscopy; 1.1 Introduction; 1.2 Background; 1.3 Basic Properties of 2D Correlation Spectra; 1.4 Instrumentation; 1.5 Applications; 2 Segmental Mobility of Liquid Crystals and Liquid-Crystalline Polymers Under External Fields: Characterization by Fourier-Transform Infrared Polarization Spectroscopy; 2.1 Introduction; 2.2 Measurement Techniques; 2.3 Theory; 2.4 Structure Dependent Alignment of Side-Chain Liquid-Crystalline Polyacrylates on Anisotropic Surfaces
2.5 Electric-Field Induced Orientation and Relaxation of Liquid-Crystalline Systems2.6 Alignment of Side-Chain Liquid-Crystalline Polyesters Under Laser Irradiation; 2.7 Orientation of Liquid-Crystals Under Mechanical Force; 2.8 Conclusions; 3 Vibrational Spectra as a Probe of Structural Order/Disorder in Chain Molecules and Polymers; 3.1 Introduction; 3.2 The Dynamical Case of Small and Symmetric Molecules; 3.3 How to Describe the Vibrations of a Molecule; 3.4 Short and Long Range Vibrational Coupling in Molecules; 3.5 Towards Larger Molecules: From Oligoiners to Polymers 3.6 From Dynamics to Vibrational Spectra of One-Dimensional Lattices3.7 The Case of Isotactic Polypropylene - A Textbook Case; 3.8 Density of Vibrational States and Neutron Scattering; 3.9 Moving Towards Reality: From Order to Disorder; 3.10 What Do We Learn from Calculations; 3.11 A Very Simple Case: Lattice Dynamics of HCI-DCl Mixed Crystals; 3.12 CIS-tram Opening of the Double Bond in the Polymerysation of Ethylene; 3.13 Defect Modes as Structural Probes in Polymethylene Chains; 3.14 Case studies:; Case 1 Conformational Mapping of Fatty Acids Through Mass Defects Case 2 Liquid Crystalline Polymers: PolyestersCase 3 Chain Folding in Polyethylene Single Crystals; Case 4 The Structure of the Skin and Core in Polyethylene Films (Normal and Ultradrawn); Case 5 Moving Towards More Complex Polymethylene Systems; 3.15 Simultaneous Configurational and Conformational Disorder. The case of Polyvynylchloride; 3.16 Structural Inhomogeneity and Raman Spectroscopy of LAM Modes; 3.17 Fermi Resonances; 3.18 Band Broadening and Conformational Flexibility; 3.19 A Worked Out Example: Froin N-Alkanes to Polyethylene. Structure and Dynamics 4 Vibrational Spectroscopy of Intact and Doped Conjugated Polymers and Their Models4.1 Introduction; 4.2 Materials; 4.3 Geometry of Intact Polymers; 4.4 Geometrical Changes Introduced by Doping; 4.5 Methodology of Raman Studies of Polarons, Bipolarons and Solitons; 4.6 Near Infrared Raman Spectroscopy; 4.7 Poly(p-phenylene); 4.8 Other Polymers; 4.9 Electronic Absorption and ESR Spectroscopies and Theory; 4.10 Mechanism of Charge Transport; 4.11 Summary; 5 Vibrational Spectroscopy of Polypeptides; 5.1 Introduction; 5.2 Force Fields; 5.3 Amide Modes; 5.4 Polypeptides; 5.5 Summary; Index |
| Record Nr. | UNISA-996199385603316 |
| Weinheim ; ; New York, : Wiley-VCH, c1999 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. di Salerno | ||
| ||
Modern polymer spectroscopy [[electronic resource] /] / edited by Giuseppe Zerbi
| Modern polymer spectroscopy [[electronic resource] /] / edited by Giuseppe Zerbi |
| Pubbl/distr/stampa | Weinheim ; ; New York, : Wiley-VCH, c1999 |
| Descrizione fisica | 1 online resource (306 p.) |
| Disciplina |
547.7046
547/.7046 |
| Altri autori (Persone) | ZerbiGiuseppe <1933-> |
| Soggetto topico |
Polymers - Analysis
Vibrational spectra |
| ISBN |
1-281-76429-9
9786611764296 3-527-61392-7 3-527-61393-5 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto |
Modern Polymer Spectroscopy; Contents; 1 Two-Dimensional Infrared Spectroscopy; 1.1 Introduction; 1.2 Background; 1.3 Basic Properties of 2D Correlation Spectra; 1.4 Instrumentation; 1.5 Applications; 2 Segmental Mobility of Liquid Crystals and Liquid-Crystalline Polymers Under External Fields: Characterization by Fourier-Transform Infrared Polarization Spectroscopy; 2.1 Introduction; 2.2 Measurement Techniques; 2.3 Theory; 2.4 Structure Dependent Alignment of Side-Chain Liquid-Crystalline Polyacrylates on Anisotropic Surfaces
2.5 Electric-Field Induced Orientation and Relaxation of Liquid-Crystalline Systems2.6 Alignment of Side-Chain Liquid-Crystalline Polyesters Under Laser Irradiation; 2.7 Orientation of Liquid-Crystals Under Mechanical Force; 2.8 Conclusions; 3 Vibrational Spectra as a Probe of Structural Order/Disorder in Chain Molecules and Polymers; 3.1 Introduction; 3.2 The Dynamical Case of Small and Symmetric Molecules; 3.3 How to Describe the Vibrations of a Molecule; 3.4 Short and Long Range Vibrational Coupling in Molecules; 3.5 Towards Larger Molecules: From Oligoiners to Polymers 3.6 From Dynamics to Vibrational Spectra of One-Dimensional Lattices3.7 The Case of Isotactic Polypropylene - A Textbook Case; 3.8 Density of Vibrational States and Neutron Scattering; 3.9 Moving Towards Reality: From Order to Disorder; 3.10 What Do We Learn from Calculations; 3.11 A Very Simple Case: Lattice Dynamics of HCI-DCl Mixed Crystals; 3.12 CIS-tram Opening of the Double Bond in the Polymerysation of Ethylene; 3.13 Defect Modes as Structural Probes in Polymethylene Chains; 3.14 Case studies:; Case 1 Conformational Mapping of Fatty Acids Through Mass Defects Case 2 Liquid Crystalline Polymers: PolyestersCase 3 Chain Folding in Polyethylene Single Crystals; Case 4 The Structure of the Skin and Core in Polyethylene Films (Normal and Ultradrawn); Case 5 Moving Towards More Complex Polymethylene Systems; 3.15 Simultaneous Configurational and Conformational Disorder. The case of Polyvynylchloride; 3.16 Structural Inhomogeneity and Raman Spectroscopy of LAM Modes; 3.17 Fermi Resonances; 3.18 Band Broadening and Conformational Flexibility; 3.19 A Worked Out Example: Froin N-Alkanes to Polyethylene. Structure and Dynamics 4 Vibrational Spectroscopy of Intact and Doped Conjugated Polymers and Their Models4.1 Introduction; 4.2 Materials; 4.3 Geometry of Intact Polymers; 4.4 Geometrical Changes Introduced by Doping; 4.5 Methodology of Raman Studies of Polarons, Bipolarons and Solitons; 4.6 Near Infrared Raman Spectroscopy; 4.7 Poly(p-phenylene); 4.8 Other Polymers; 4.9 Electronic Absorption and ESR Spectroscopies and Theory; 4.10 Mechanism of Charge Transport; 4.11 Summary; 5 Vibrational Spectroscopy of Polypeptides; 5.1 Introduction; 5.2 Force Fields; 5.3 Amide Modes; 5.4 Polypeptides; 5.5 Summary; Index |
| Record Nr. | UNINA-9910830156603321 |
| Weinheim ; ; New York, : Wiley-VCH, c1999 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
| ||
Modern polymer spectroscopy / / edited by Giuseppe Zerbi
| Modern polymer spectroscopy / / edited by Giuseppe Zerbi |
| Pubbl/distr/stampa | Weinheim ; ; New York, : Wiley-VCH, c1999 |
| Descrizione fisica | 1 online resource (306 p.) |
| Disciplina |
547.7046
547/.7046 |
| Altri autori (Persone) | ZerbiGiuseppe <1933-> |
| Soggetto topico |
Polymers - Analysis
Vibrational spectra |
| ISBN |
9786611764296
9781281764294 1281764299 9783527613922 3527613927 9783527613939 3527613935 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto |
Modern Polymer Spectroscopy; Contents; 1 Two-Dimensional Infrared Spectroscopy; 1.1 Introduction; 1.2 Background; 1.3 Basic Properties of 2D Correlation Spectra; 1.4 Instrumentation; 1.5 Applications; 2 Segmental Mobility of Liquid Crystals and Liquid-Crystalline Polymers Under External Fields: Characterization by Fourier-Transform Infrared Polarization Spectroscopy; 2.1 Introduction; 2.2 Measurement Techniques; 2.3 Theory; 2.4 Structure Dependent Alignment of Side-Chain Liquid-Crystalline Polyacrylates on Anisotropic Surfaces
2.5 Electric-Field Induced Orientation and Relaxation of Liquid-Crystalline Systems2.6 Alignment of Side-Chain Liquid-Crystalline Polyesters Under Laser Irradiation; 2.7 Orientation of Liquid-Crystals Under Mechanical Force; 2.8 Conclusions; 3 Vibrational Spectra as a Probe of Structural Order/Disorder in Chain Molecules and Polymers; 3.1 Introduction; 3.2 The Dynamical Case of Small and Symmetric Molecules; 3.3 How to Describe the Vibrations of a Molecule; 3.4 Short and Long Range Vibrational Coupling in Molecules; 3.5 Towards Larger Molecules: From Oligoiners to Polymers 3.6 From Dynamics to Vibrational Spectra of One-Dimensional Lattices3.7 The Case of Isotactic Polypropylene - A Textbook Case; 3.8 Density of Vibrational States and Neutron Scattering; 3.9 Moving Towards Reality: From Order to Disorder; 3.10 What Do We Learn from Calculations; 3.11 A Very Simple Case: Lattice Dynamics of HCI-DCl Mixed Crystals; 3.12 CIS-tram Opening of the Double Bond in the Polymerysation of Ethylene; 3.13 Defect Modes as Structural Probes in Polymethylene Chains; 3.14 Case studies:; Case 1 Conformational Mapping of Fatty Acids Through Mass Defects Case 2 Liquid Crystalline Polymers: PolyestersCase 3 Chain Folding in Polyethylene Single Crystals; Case 4 The Structure of the Skin and Core in Polyethylene Films (Normal and Ultradrawn); Case 5 Moving Towards More Complex Polymethylene Systems; 3.15 Simultaneous Configurational and Conformational Disorder. The case of Polyvynylchloride; 3.16 Structural Inhomogeneity and Raman Spectroscopy of LAM Modes; 3.17 Fermi Resonances; 3.18 Band Broadening and Conformational Flexibility; 3.19 A Worked Out Example: Froin N-Alkanes to Polyethylene. Structure and Dynamics 4 Vibrational Spectroscopy of Intact and Doped Conjugated Polymers and Their Models4.1 Introduction; 4.2 Materials; 4.3 Geometry of Intact Polymers; 4.4 Geometrical Changes Introduced by Doping; 4.5 Methodology of Raman Studies of Polarons, Bipolarons and Solitons; 4.6 Near Infrared Raman Spectroscopy; 4.7 Poly(p-phenylene); 4.8 Other Polymers; 4.9 Electronic Absorption and ESR Spectroscopies and Theory; 4.10 Mechanism of Charge Transport; 4.11 Summary; 5 Vibrational Spectroscopy of Polypeptides; 5.1 Introduction; 5.2 Force Fields; 5.3 Amide Modes; 5.4 Polypeptides; 5.5 Summary; Index |
| Record Nr. | UNINA-9911019451003321 |
| Weinheim ; ; New York, : Wiley-VCH, c1999 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
| ||
