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Calculation of NMR and EPR parameters [[electronic resource] ] : theory and applications / / [edited by] Martin Kaupp, Michael Bühl, Vladimir G. Malkin
| Calculation of NMR and EPR parameters [[electronic resource] ] : theory and applications / / [edited by] Martin Kaupp, Michael Bühl, Vladimir G. Malkin |
| Pubbl/distr/stampa | Weinheim, : Wiley-VCH, c2004 |
| Descrizione fisica | 1 online resource (623 p.) |
| Disciplina |
543
543.66 543/.66 |
| Altri autori (Persone) |
KauppMartin
BühlMichael MalkinVladimir G |
| Soggetto topico |
Nuclear magnetic resonance spectroscopy
Electron paramagnetic resonance spectroscopy Quantum chemistry |
| Soggetto genere / forma | Electronic books. |
| ISBN |
1-280-52011-6
9786610520114 3-527-60496-0 3-527-60167-8 |
| Formato | Materiale a stampa  |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto |
Calculation of NMR and EPR Parameters; Contents; Foreword; List of Contributors; Part A Introductory Chapters; 1 Introduction: The Quantum Chemical Calculation of NMR and EPR Parameters; 2 Theory of NMR parameters. From Ramsey to Relativity, 1953 to 1983; 2.1 Introduction; 2.2 Spin-Spin Coupling; 2.3 Chemical Shifts; 2.4 General Aspects; 2.5 From 1983 to 2003; 3 Historical Aspects of EPR Parameter Calculations; 4 The Effective Spin Hamiltonian Concept from a Quantum Chemical Perspective; 5 Fundamentals of Nonrelativistic and Relativistic Theory of NMR and EPR Parameters; 5.1 Introduction
5.2 Classical Theory of the Interaction of a Charged Particle with an Electromagnetic Field5.3 Quantum Mechanical Hamiltonians in a Time-Independent Electromagnetic Field; 5.4 Perturbation Theory of Magnetic Effects; 5.5 Non-Relativistic Theory of EPR and NMR Parameters; 5.6 Relativistic Theory of Magnetic Properties; 5.7 The Leading Relativistic Corrections; 5.8 Concluding Remarks; Part B NMR Parameters, Methodological Aspects; 6 Chemical Shifts with Hartree-Fock and Density Functional Methods; 6.1 Introduction; 6.2 Linear Response and the Gauge Origin Problem 6.3 Determination of the First-Order Orbitals6.4 Distributed Gauge Origins, IGLO and GIAO Approaches; 6.5 Distributed Gauge Origins in Real Space, a "Continuous Set of Gauge Transformations"; 6.6 Beyond Pure Density Functional Theory; 6.7 Conclusions; 7 Spin-Spin Coupling Constants with HF and DFT Methods; 7.1 Introduction; 7.2 The Calculation of Indirect Nuclear Spin-Spin Coupling Constants; 7.3 Examples of Applications; 7.4 Conclusions; 8 Electron-Correlated Methods for the Calculation of NMR Chemical Shifts; 8.1 Introduction; 8.2 Theoretical Background 8.3 Electron-Correlated Treatment of NMR Chemical Shifts8.4 Special developments; 8.5 Numerical Results; 8.6 Summary and Outlook; 9 Semiempirical Methods for the Calculation of NMR Chemical Shifts; 9.1 Introduction; 9.2 Methods; 9.3 Representative Applications; 9.4 Concluding Remarks: Limitations of Semiempirical Methods for the Calculation of NMR Parameters; 10 Ro-Vibrational Corrections to NMR Parameters; 10.1 Introduction; 10.2 Perturbation Theory; 10.3 Other Approaches for Calculating Vibrationally Averaged NMR Properties; 10.4 Examples of Vibrational Contributions to NMR Properties 10.5 Summary11 Molecular Dynamics and NMR Parameter Calculations; 11.1 Introduction; 11.2 Methods; 11.3 Examples; 11.4 Summary and Conclusions; 12 Use of Continuum Solvent Models in Magnetic Resonance Parameter Calculations; 12.1 Introduction; 12.2 General Features of Continuum Models; 12.3 Applications of Continuum Models to the Prediction of NMR Parameters; 12.4 Applications of Continuum Models to the Prediction of EPR Parameters; 12.5 Conclusions; 13 Perturbational and ECP Calculation of Relativistic Effects in NMR Shielding and Spin-Spin Coupling; 13.1 Introduction 13.2 Nuclear Shielding and Spin-Spin Coupling |
| Record Nr. | UNINA-9910146236303321 |
| Weinheim, : Wiley-VCH, c2004 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
| ||
Calculation of NMR and EPR parameters : theory and applications / [edited by] Martin Kaupp, Michael Bèuhl, Vladimir G. Malkin
| Calculation of NMR and EPR parameters : theory and applications / [edited by] Martin Kaupp, Michael Bèuhl, Vladimir G. Malkin |
| Pubbl/distr/stampa | Weinheim : Wiley-VCH, c2004 |
| Descrizione fisica | xviii, 603 p. : ill. ; 25 cm |
| Disciplina | 543.66 |
| Altri autori (Persone) |
Kaupp, Martin
Bèuhl, Michael Malkin, Vladimir G. |
| Soggetto topico |
Nuclear magnetic resonance spectroscopy
Electron paramagnetic resonance spectroscopy Quantum chemistry |
| ISBN | 3527307796 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Record Nr. | UNISALENTO-991003798269707536 |
| Weinheim : Wiley-VCH, c2004 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. del Salento | ||
| ||
Calculation of NMR and EPR parameters [[electronic resource] ] : theory and applications / / [edited by] Martin Kaupp, Michael Bühl, Vladimir G. Malkin
| Calculation of NMR and EPR parameters [[electronic resource] ] : theory and applications / / [edited by] Martin Kaupp, Michael Bühl, Vladimir G. Malkin |
| Pubbl/distr/stampa | Weinheim, : Wiley-VCH, c2004 |
| Descrizione fisica | 1 online resource (623 p.) |
| Disciplina |
543
543.66 543/.66 |
| Altri autori (Persone) |
KauppMartin
BühlMichael MalkinVladimir G |
| Soggetto topico |
Nuclear magnetic resonance spectroscopy
Electron paramagnetic resonance spectroscopy Quantum chemistry |
| ISBN |
1-280-52011-6
9786610520114 3-527-60496-0 3-527-60167-8 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto |
Calculation of NMR and EPR Parameters; Contents; Foreword; List of Contributors; Part A Introductory Chapters; 1 Introduction: The Quantum Chemical Calculation of NMR and EPR Parameters; 2 Theory of NMR parameters. From Ramsey to Relativity, 1953 to 1983; 2.1 Introduction; 2.2 Spin-Spin Coupling; 2.3 Chemical Shifts; 2.4 General Aspects; 2.5 From 1983 to 2003; 3 Historical Aspects of EPR Parameter Calculations; 4 The Effective Spin Hamiltonian Concept from a Quantum Chemical Perspective; 5 Fundamentals of Nonrelativistic and Relativistic Theory of NMR and EPR Parameters; 5.1 Introduction
5.2 Classical Theory of the Interaction of a Charged Particle with an Electromagnetic Field5.3 Quantum Mechanical Hamiltonians in a Time-Independent Electromagnetic Field; 5.4 Perturbation Theory of Magnetic Effects; 5.5 Non-Relativistic Theory of EPR and NMR Parameters; 5.6 Relativistic Theory of Magnetic Properties; 5.7 The Leading Relativistic Corrections; 5.8 Concluding Remarks; Part B NMR Parameters, Methodological Aspects; 6 Chemical Shifts with Hartree-Fock and Density Functional Methods; 6.1 Introduction; 6.2 Linear Response and the Gauge Origin Problem 6.3 Determination of the First-Order Orbitals6.4 Distributed Gauge Origins, IGLO and GIAO Approaches; 6.5 Distributed Gauge Origins in Real Space, a "Continuous Set of Gauge Transformations"; 6.6 Beyond Pure Density Functional Theory; 6.7 Conclusions; 7 Spin-Spin Coupling Constants with HF and DFT Methods; 7.1 Introduction; 7.2 The Calculation of Indirect Nuclear Spin-Spin Coupling Constants; 7.3 Examples of Applications; 7.4 Conclusions; 8 Electron-Correlated Methods for the Calculation of NMR Chemical Shifts; 8.1 Introduction; 8.2 Theoretical Background 8.3 Electron-Correlated Treatment of NMR Chemical Shifts8.4 Special developments; 8.5 Numerical Results; 8.6 Summary and Outlook; 9 Semiempirical Methods for the Calculation of NMR Chemical Shifts; 9.1 Introduction; 9.2 Methods; 9.3 Representative Applications; 9.4 Concluding Remarks: Limitations of Semiempirical Methods for the Calculation of NMR Parameters; 10 Ro-Vibrational Corrections to NMR Parameters; 10.1 Introduction; 10.2 Perturbation Theory; 10.3 Other Approaches for Calculating Vibrationally Averaged NMR Properties; 10.4 Examples of Vibrational Contributions to NMR Properties 10.5 Summary11 Molecular Dynamics and NMR Parameter Calculations; 11.1 Introduction; 11.2 Methods; 11.3 Examples; 11.4 Summary and Conclusions; 12 Use of Continuum Solvent Models in Magnetic Resonance Parameter Calculations; 12.1 Introduction; 12.2 General Features of Continuum Models; 12.3 Applications of Continuum Models to the Prediction of NMR Parameters; 12.4 Applications of Continuum Models to the Prediction of EPR Parameters; 12.5 Conclusions; 13 Perturbational and ECP Calculation of Relativistic Effects in NMR Shielding and Spin-Spin Coupling; 13.1 Introduction 13.2 Nuclear Shielding and Spin-Spin Coupling |
| Record Nr. | UNISA-996204187803316 |
| Weinheim, : Wiley-VCH, c2004 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. di Salerno | ||
| ||
Calculation of NMR and EPR parameters [[electronic resource] ] : theory and applications / / [edited by] Martin Kaupp, Michael Bühl, Vladimir G. Malkin
| Calculation of NMR and EPR parameters [[electronic resource] ] : theory and applications / / [edited by] Martin Kaupp, Michael Bühl, Vladimir G. Malkin |
| Pubbl/distr/stampa | Weinheim, : Wiley-VCH, c2004 |
| Descrizione fisica | 1 online resource (623 p.) |
| Disciplina |
543
543.66 543/.66 |
| Altri autori (Persone) |
KauppMartin
BühlMichael MalkinVladimir G |
| Soggetto topico |
Nuclear magnetic resonance spectroscopy
Electron paramagnetic resonance spectroscopy Quantum chemistry |
| ISBN |
1-280-52011-6
9786610520114 3-527-60496-0 3-527-60167-8 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto |
Calculation of NMR and EPR Parameters; Contents; Foreword; List of Contributors; Part A Introductory Chapters; 1 Introduction: The Quantum Chemical Calculation of NMR and EPR Parameters; 2 Theory of NMR parameters. From Ramsey to Relativity, 1953 to 1983; 2.1 Introduction; 2.2 Spin-Spin Coupling; 2.3 Chemical Shifts; 2.4 General Aspects; 2.5 From 1983 to 2003; 3 Historical Aspects of EPR Parameter Calculations; 4 The Effective Spin Hamiltonian Concept from a Quantum Chemical Perspective; 5 Fundamentals of Nonrelativistic and Relativistic Theory of NMR and EPR Parameters; 5.1 Introduction
5.2 Classical Theory of the Interaction of a Charged Particle with an Electromagnetic Field5.3 Quantum Mechanical Hamiltonians in a Time-Independent Electromagnetic Field; 5.4 Perturbation Theory of Magnetic Effects; 5.5 Non-Relativistic Theory of EPR and NMR Parameters; 5.6 Relativistic Theory of Magnetic Properties; 5.7 The Leading Relativistic Corrections; 5.8 Concluding Remarks; Part B NMR Parameters, Methodological Aspects; 6 Chemical Shifts with Hartree-Fock and Density Functional Methods; 6.1 Introduction; 6.2 Linear Response and the Gauge Origin Problem 6.3 Determination of the First-Order Orbitals6.4 Distributed Gauge Origins, IGLO and GIAO Approaches; 6.5 Distributed Gauge Origins in Real Space, a "Continuous Set of Gauge Transformations"; 6.6 Beyond Pure Density Functional Theory; 6.7 Conclusions; 7 Spin-Spin Coupling Constants with HF and DFT Methods; 7.1 Introduction; 7.2 The Calculation of Indirect Nuclear Spin-Spin Coupling Constants; 7.3 Examples of Applications; 7.4 Conclusions; 8 Electron-Correlated Methods for the Calculation of NMR Chemical Shifts; 8.1 Introduction; 8.2 Theoretical Background 8.3 Electron-Correlated Treatment of NMR Chemical Shifts8.4 Special developments; 8.5 Numerical Results; 8.6 Summary and Outlook; 9 Semiempirical Methods for the Calculation of NMR Chemical Shifts; 9.1 Introduction; 9.2 Methods; 9.3 Representative Applications; 9.4 Concluding Remarks: Limitations of Semiempirical Methods for the Calculation of NMR Parameters; 10 Ro-Vibrational Corrections to NMR Parameters; 10.1 Introduction; 10.2 Perturbation Theory; 10.3 Other Approaches for Calculating Vibrationally Averaged NMR Properties; 10.4 Examples of Vibrational Contributions to NMR Properties 10.5 Summary11 Molecular Dynamics and NMR Parameter Calculations; 11.1 Introduction; 11.2 Methods; 11.3 Examples; 11.4 Summary and Conclusions; 12 Use of Continuum Solvent Models in Magnetic Resonance Parameter Calculations; 12.1 Introduction; 12.2 General Features of Continuum Models; 12.3 Applications of Continuum Models to the Prediction of NMR Parameters; 12.4 Applications of Continuum Models to the Prediction of EPR Parameters; 12.5 Conclusions; 13 Perturbational and ECP Calculation of Relativistic Effects in NMR Shielding and Spin-Spin Coupling; 13.1 Introduction 13.2 Nuclear Shielding and Spin-Spin Coupling |
| Record Nr. | UNINA-9910830592503321 |
| Weinheim, : Wiley-VCH, c2004 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
| ||
Calculation of NMR and EPR parameters [[electronic resource] ] : theory and applications / / [edited by] Martin Kaupp, Michael Bühl, Vladimir G. Malkin
| Calculation of NMR and EPR parameters [[electronic resource] ] : theory and applications / / [edited by] Martin Kaupp, Michael Bühl, Vladimir G. Malkin |
| Pubbl/distr/stampa | Weinheim, : Wiley-VCH, c2004 |
| Descrizione fisica | 1 online resource (623 p.) |
| Disciplina |
543
543.66 543/.66 |
| Altri autori (Persone) |
KauppMartin
BühlMichael MalkinVladimir G |
| Soggetto topico |
Nuclear magnetic resonance spectroscopy
Electron paramagnetic resonance spectroscopy Quantum chemistry |
| ISBN |
1-280-52011-6
9786610520114 3-527-60496-0 3-527-60167-8 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto |
Calculation of NMR and EPR Parameters; Contents; Foreword; List of Contributors; Part A Introductory Chapters; 1 Introduction: The Quantum Chemical Calculation of NMR and EPR Parameters; 2 Theory of NMR parameters. From Ramsey to Relativity, 1953 to 1983; 2.1 Introduction; 2.2 Spin-Spin Coupling; 2.3 Chemical Shifts; 2.4 General Aspects; 2.5 From 1983 to 2003; 3 Historical Aspects of EPR Parameter Calculations; 4 The Effective Spin Hamiltonian Concept from a Quantum Chemical Perspective; 5 Fundamentals of Nonrelativistic and Relativistic Theory of NMR and EPR Parameters; 5.1 Introduction
5.2 Classical Theory of the Interaction of a Charged Particle with an Electromagnetic Field5.3 Quantum Mechanical Hamiltonians in a Time-Independent Electromagnetic Field; 5.4 Perturbation Theory of Magnetic Effects; 5.5 Non-Relativistic Theory of EPR and NMR Parameters; 5.6 Relativistic Theory of Magnetic Properties; 5.7 The Leading Relativistic Corrections; 5.8 Concluding Remarks; Part B NMR Parameters, Methodological Aspects; 6 Chemical Shifts with Hartree-Fock and Density Functional Methods; 6.1 Introduction; 6.2 Linear Response and the Gauge Origin Problem 6.3 Determination of the First-Order Orbitals6.4 Distributed Gauge Origins, IGLO and GIAO Approaches; 6.5 Distributed Gauge Origins in Real Space, a "Continuous Set of Gauge Transformations"; 6.6 Beyond Pure Density Functional Theory; 6.7 Conclusions; 7 Spin-Spin Coupling Constants with HF and DFT Methods; 7.1 Introduction; 7.2 The Calculation of Indirect Nuclear Spin-Spin Coupling Constants; 7.3 Examples of Applications; 7.4 Conclusions; 8 Electron-Correlated Methods for the Calculation of NMR Chemical Shifts; 8.1 Introduction; 8.2 Theoretical Background 8.3 Electron-Correlated Treatment of NMR Chemical Shifts8.4 Special developments; 8.5 Numerical Results; 8.6 Summary and Outlook; 9 Semiempirical Methods for the Calculation of NMR Chemical Shifts; 9.1 Introduction; 9.2 Methods; 9.3 Representative Applications; 9.4 Concluding Remarks: Limitations of Semiempirical Methods for the Calculation of NMR Parameters; 10 Ro-Vibrational Corrections to NMR Parameters; 10.1 Introduction; 10.2 Perturbation Theory; 10.3 Other Approaches for Calculating Vibrationally Averaged NMR Properties; 10.4 Examples of Vibrational Contributions to NMR Properties 10.5 Summary11 Molecular Dynamics and NMR Parameter Calculations; 11.1 Introduction; 11.2 Methods; 11.3 Examples; 11.4 Summary and Conclusions; 12 Use of Continuum Solvent Models in Magnetic Resonance Parameter Calculations; 12.1 Introduction; 12.2 General Features of Continuum Models; 12.3 Applications of Continuum Models to the Prediction of NMR Parameters; 12.4 Applications of Continuum Models to the Prediction of EPR Parameters; 12.5 Conclusions; 13 Perturbational and ECP Calculation of Relativistic Effects in NMR Shielding and Spin-Spin Coupling; 13.1 Introduction 13.2 Nuclear Shielding and Spin-Spin Coupling |
| Record Nr. | UNINA-9910840999503321 |
| Weinheim, : Wiley-VCH, c2004 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
| ||
Electron paramagnetic resonance [[electronic resource] ] : elementary theory and practical applications / / John A. Weil & James R. Bolton
| Electron paramagnetic resonance [[electronic resource] ] : elementary theory and practical applications / / John A. Weil & James R. Bolton |
| Autore | Weil John A (John Ashley), <1929-> |
| Edizione | [2nd ed.] |
| Pubbl/distr/stampa | Hoboken, N.J., : Wiley-Interscience, c2007 |
| Descrizione fisica | 1 online resource (690 p.) |
| Disciplina |
543.67
543/.67 |
| Altri autori (Persone) | BoltonJames R. <1937-> |
| Soggetto topico | Electron paramagnetic resonance spectroscopy |
| Soggetto genere / forma |
Electronic books$2local
Internet resources$2local |
| ISBN |
9780470084984 (electronic bk.)
1-280-82192-2 9786610821921 0-470-08498-7 0-470-08497-9 |
| Classificazione | 35.25 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto |
ELECTRON PARAMAGNETIC RESONANCE; CONTENTS; PREFACE; ACKNOWLEDGMENTS; 1 BASIC PRINCIPLES OF PARAMAGNETIC RESONANCE; 1.1 Introduction; 1.2 Historical Perspective; 1.3 A Simple EPR Spectrometer; 1.4 Scope of the EPR Technique; 1.5 Energy Flow in Paramagnetic Systems; 1.6 Quantization of Angular Momenta; 1.7 Relation Between Magnetic Moments and Angular Momenta; 1.8 Magnetic Field Quantities and Units; 1.9 Bulk Magnetic Properties; 1.10 Magnetic Energies and States; 1.11 Interaction of Magnetic Dipoles with Electromagnetic Radiation; 1.12 Characteristics of the Spin Systems; 1.12.1 The g Factor
3.7 Deviations from the Simple Multinomial Scheme3.8 Other Problems Encountered in EPR Spectra of Free Radicals; 3.9 Some Interesting π-Type Free Radicals; References; Notes; Further Reading; Problems; 4 ZEEMAN ENERGY (g) ANISOTROPY; 4.1 Introduction; 4.2 Systems with High Local Symmetry; 4.3 Systems with Rhombic Local Symmetry; 4.4 Construction of the g Matrix; 4.5 Symmetry-Related Sites; 4.6 EPR Line Intensities; 4.7 Statistically Randomly Oriented Solids; 4.8 Spin-Orbit Coupling and Quantum-Mechanical Modeling of g; 4.9 Comparative Overview; References; Notes; Further Reading; Problems 6.2 Spin Hamiltonian for Two Interacting Electrons |
| Record Nr. | UNINA-9910143404103321 |
Weil John A (John Ashley), <1929->
|
||
| Hoboken, N.J., : Wiley-Interscience, c2007 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
| ||
Electron spin resonance spectroscopy of organic radicals [[electronic resource] /] / Fabian Gerson, Walter Huber
| Electron spin resonance spectroscopy of organic radicals [[electronic resource] /] / Fabian Gerson, Walter Huber |
| Autore | Gerson Fabian |
| Pubbl/distr/stampa | Weinheim, : Wiley-VCH, c2003 |
| Descrizione fisica | 1 online resource (482 p.) |
| Disciplina |
538.346
543.67 |
| Altri autori (Persone) | HuberWalter <1949-> |
| Soggetto topico |
Electron paramagnetic resonance spectroscopy
Magnetic resonance |
| Soggetto genere / forma | Electronic books. |
| ISBN |
1-280-52033-7
3-527-60524-X 9786610520336 3-527-60162-7 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto |
Electron Spin Resonance Spectroscopy of Organic Radicals; Contents; Preface; Abbreviations and Symbols; A General Part; 1 Physical Fundamentals of Electron Spin Resonance; 1.1 Spin and Magnetic Moment of Electron; 1.2 Zeeman Splitting and Resonance Condition; 1.3 Spin-lattice Relaxation; 1.4 Line-width and Line-form; 2 Paramagnetic Organic Species and Their Generation; 2.1 Spin Multiplicity; 2.2 Neutral Radicals; 2.3 Radical Ions; 2.4 Triplets: Electron-Electron Magnetic Interaction; 3 Electron-Nuclear Magnetic Interaction; 3.1 Nuclear Magnetism; 3.2 Hyperfine Splitting of ESR Signal
4 Spin Density, Spin Population, Spin Polarization, and Spin Delocalization4.1 Concepts; 4.2 π Radicals; 4.3 σ Radicals; 4.4 Triplet States; 4.5 Calculations of Spin Populations; 5 Multiresonance; 5.1 Historical Note; 5.2 ENDOR; 5.3 TRIPLE Resonance; 5.4 ELDOR; 6 Taking and Analyzing ESR Spectra; 6.1 Instrumentation; 6.2 g(e) Factor; 6.3 Optimal Conditions; 6.4 Unravelling Hyperfine Pattern; 6.5 Assignment and Sign of Coupling Constants; 6.6 Ion Pairing; 6.7 Intramolecular Dynamic Processes; B Special Part; 7 Organic Radicals Centered on One, Two, or Three Atoms 7.1 C-, N-, and O-centered Radicals7.2 Si-, P-, and S-centered Radicals; 7.3 CC-, NN-, and OO-centered Radicals; 7.4 NO- and NO(2)-centered Radicals; 7.5 PO-, PP-, SO-, SS-, and SO(2)-centered Radicals; 8 Conjugated Hydrocarbon Radicals; 8.1 Theoretical Introduction; 8.2 Odd Alternant Radicals; 8.3 Odd Nonalternant Radicals and Radical Dianions; 8.4 Even Alternant Radical Ions; 8.5 Even Nonalternant Radical Ions; 8.6 Radicals and Radical Ions with a Perturbed π Perimeter; 8.7 Radical Ions of Phanes; 8.8 Radical Ions of Radialenes; 9 Conjugated Radicals with Heteroatoms; 9.1 Neutral Radicals 9.2 Radical Anions of Electron Acceptors9.3 Radical Cations of Electron Donors; 9.4 Radical Cations with Special Structures; 9.5 Radical Ions of Multi-redox Systems; 10 Saturated Hydrocarbon Radicals; 10.1 Radical Cations of Alkanes; 10.2 Structurally Modified Radical Cations; 11 Biradicals and Triplet-state Molecules; 11.1 Biradicals; 11.2 Molecules in Photoexcited Triplet State; 11.3 Molecules in Ground or Thermally Accessible Triplet State; Appendices; A.1 Nitroxyls as Spin Labels and Spin Adducts; A.2 Hyperfine Splitting by Alkali-Metal Nuclei in Counterions of Radical Anions; References Index |
| Record Nr. | UNINA-9910146246803321 |
|
Gerson Fabian
|
||
| Weinheim, : Wiley-VCH, c2003 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
| ||
Electron spin resonance spectroscopy of organic radicals / / Fabian Gerson, Walter Huber
| Electron spin resonance spectroscopy of organic radicals / / Fabian Gerson, Walter Huber |
| Autore | Gerson Fabian |
| Pubbl/distr/stampa | Weinheim, Germany : , : Wiley-VCH GmbH, , [2003] |
| Descrizione fisica | 1 online resource (482 p.) |
| Disciplina | 543.67 |
| Soggetto topico | Electron paramagnetic resonance spectroscopy |
| ISBN |
1-280-52033-7
3-527-60524-X 9786610520336 3-527-60162-7 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto |
Electron Spin Resonance Spectroscopy of Organic Radicals; Contents; Preface; Abbreviations and Symbols; A General Part; 1 Physical Fundamentals of Electron Spin Resonance; 1.1 Spin and Magnetic Moment of Electron; 1.2 Zeeman Splitting and Resonance Condition; 1.3 Spin-lattice Relaxation; 1.4 Line-width and Line-form; 2 Paramagnetic Organic Species and Their Generation; 2.1 Spin Multiplicity; 2.2 Neutral Radicals; 2.3 Radical Ions; 2.4 Triplets: Electron-Electron Magnetic Interaction; 3 Electron-Nuclear Magnetic Interaction; 3.1 Nuclear Magnetism; 3.2 Hyperfine Splitting of ESR Signal
4 Spin Density, Spin Population, Spin Polarization, and Spin Delocalization4.1 Concepts; 4.2 π Radicals; 4.3 σ Radicals; 4.4 Triplet States; 4.5 Calculations of Spin Populations; 5 Multiresonance; 5.1 Historical Note; 5.2 ENDOR; 5.3 TRIPLE Resonance; 5.4 ELDOR; 6 Taking and Analyzing ESR Spectra; 6.1 Instrumentation; 6.2 g(e) Factor; 6.3 Optimal Conditions; 6.4 Unravelling Hyperfine Pattern; 6.5 Assignment and Sign of Coupling Constants; 6.6 Ion Pairing; 6.7 Intramolecular Dynamic Processes; B Special Part; 7 Organic Radicals Centered on One, Two, or Three Atoms 7.1 C-, N-, and O-centered Radicals7.2 Si-, P-, and S-centered Radicals; 7.3 CC-, NN-, and OO-centered Radicals; 7.4 NO- and NO(2)-centered Radicals; 7.5 PO-, PP-, SO-, SS-, and SO(2)-centered Radicals; 8 Conjugated Hydrocarbon Radicals; 8.1 Theoretical Introduction; 8.2 Odd Alternant Radicals; 8.3 Odd Nonalternant Radicals and Radical Dianions; 8.4 Even Alternant Radical Ions; 8.5 Even Nonalternant Radical Ions; 8.6 Radicals and Radical Ions with a Perturbed π Perimeter; 8.7 Radical Ions of Phanes; 8.8 Radical Ions of Radialenes; 9 Conjugated Radicals with Heteroatoms; 9.1 Neutral Radicals 9.2 Radical Anions of Electron Acceptors9.3 Radical Cations of Electron Donors; 9.4 Radical Cations with Special Structures; 9.5 Radical Ions of Multi-redox Systems; 10 Saturated Hydrocarbon Radicals; 10.1 Radical Cations of Alkanes; 10.2 Structurally Modified Radical Cations; 11 Biradicals and Triplet-state Molecules; 11.1 Biradicals; 11.2 Molecules in Photoexcited Triplet State; 11.3 Molecules in Ground or Thermally Accessible Triplet State; Appendices; A.1 Nitroxyls as Spin Labels and Spin Adducts; A.2 Hyperfine Splitting by Alkali-Metal Nuclei in Counterions of Radical Anions; References Index |
| Record Nr. | UNINA-9910830498103321 |
|
Gerson Fabian
|
||
| Weinheim, Germany : , : Wiley-VCH GmbH, , [2003] | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
| ||
EPR spectroscopy : fundamentals and methods / / editors, Daniella Goldfarb, Stefan Stoll
| EPR spectroscopy : fundamentals and methods / / editors, Daniella Goldfarb, Stefan Stoll |
| Pubbl/distr/stampa | Chichester, West Sussex, England : , : Wiley, , 2018 |
| Descrizione fisica | 1 online resource (627 pages) : illustrations (some color), graphs |
| Disciplina | 543.67 |
| Collana | eMagRes Books |
| Soggetto topico |
Electron paramagnetic resonance spectroscopy
Spectrum analysis |
| Soggetto genere / forma | Electronic books. |
| ISBN |
1-119-16297-1
1-119-16298-X |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Record Nr. | UNINA-9910467775003321 |
| Chichester, West Sussex, England : , : Wiley, , 2018 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
| ||
EPR spectroscopy : fundamentals and methods / / editors, Daniella Goldfarb, Stefan Stoll
| EPR spectroscopy : fundamentals and methods / / editors, Daniella Goldfarb, Stefan Stoll |
| Pubbl/distr/stampa | Chichester, West Sussex, England : , : Wiley, , 2018 |
| Descrizione fisica | 1 online resource (627 pages) : illustrations (some color), graphs |
| Disciplina | 543.67 |
| Collana | eMagRes Books |
| Soggetto topico |
Electron paramagnetic resonance spectroscopy
Spectrum analysis |
| ISBN |
1-119-16297-1
1-119-16298-X |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Record Nr. | UNINA-9910795414203321 |
| Chichester, West Sussex, England : , : Wiley, , 2018 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
| ||
