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Primer of NMR Theory with Calculations in Mathematica by Alan J. Benesi (2015, Hardcover)

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About this product

Product Identifiers

PublisherWiley & Sons, Incorporated, John

ISBN-101118588991

ISBN-139781118588994

eBay Product ID (ePID)204207799

Product Key Features

Number of Pages256 Pages

LanguageEnglish

Publication NamePrimer of NMR Theory with Calculations in Mathematica

SubjectSpectroscopy & Spectrum Analysis

Publication Year2015

TypeTextbook

AuthorAlan J. Benesi

Subject AreaScience

FormatHardcover

Dimensions

Item Height0.8 in

Item Weight19.7 Oz

Item Length9.5 in

Item Width6.3 in

Additional Product Features

Intended AudienceScholarly & Professional

LCCN2014-048320

TitleLeadingA

IllustratedYes

Table Of ContentPreface viii Chapter 1 Introduction 1 Chapter 2 Using Mathematicac; Homework Philosophy 3 Chapter 3 The NMR Spectrometer 4 Chapter 4 The NMR Experiment 7 Chapter 5 Classical Magnets and Precession 11 Chapter 6 The Bloch Equation in the Laboratory Reference Frame 16 Chapter 7 The Bloch Equation in the Rotating Frame 19 Chapter 8 The Vector Model 23 Chapter 9 Fourier Transform of the NMR Signal 29 Chapter 10 Essentials of Quantum Mechanics 31 Chapter 11 The Time]Dependent Schrodinger Equation, Matrix Representation of Nuclear Spin Angular Momentum Operators 35 Chapter 12 The Density Operator 39 Chapter 13 The Liouville-von Neumann Equation 41 Chapter 14 The Density Operator at Thermal Equilibrium 42 Chapter 15 Hamiltonians of NMR: Isotropic Liquid]State Hamiltonians 45 Chapter 16 The Direct Product Matrix Representation of Coupling Hamiltonians HJ and HD 50 Chapter 17 Solving the Liouville-Von Neumann Equation for the Time Dependence of the Density Matrix 54 Chapter 18 The Observable NMR Signal 59 Chapter 19 Commutation Relations of Spin Angular Momentum Operators 61 Chapter 20 The Product Operator Formalism 65 Chapter 21 NMR Pulse Sequences and Phase Cycling 68 Chapter 22 Analysis of Liquid]State NMR Pulse Sequences with the Product Operator Formalism 72 Chapter 23 Analysis of the Inept Pulse Sequence with Program Shortspin and Program Poma 78 Chapter 24 The Radio Frequency Hamiltonian 82 Chapter 25 Comparison of 1D and 2D NMR 86 Chapter 26 Analysis of the HSQC, HMQC, and DQF]COSY 2D NMR Experiments 89 Chapter 27 Selection of Coherence Order Pathways with Phase Cycling 96 Chapter 28 Selection of Coherence Order Pathways with Pulsed Magnetic Field Gradients 104 Chapter 29 Hamiltonians of NMR: Anisotropic Solid]State Internal Hamiltonians in Rigid Solids 111 Chapter 30 Rotations of Real Space Axis Systems--Cartesian Method 120 Chapter 31 Wigner Rotations of Irreducible Spherical Tensors 123 Chapter 32 Solid]State NMR Real Space Spherical Tensors 129 Chapter 33 Time]Independent Perturbation Theory 134 Chapter 34 Average Hamiltonian Theory 141 Chapter 35 The Powder Average 144 Chapter 36 Overview of Molecular Motion and NMR 147 Chapter 37 Slow, Intermediate, And Fast Exchange In Liquid]State Nmr Spectra 150 Chapter 38 Exchange in Solid]State NMR Spectra 154 Chapter 39 N MR Relaxation: What is NMR Relaxation and what Causes it? 163 Chapter 40 Practical Considerations for the Calculation of NMR Relaxation Rates 168 Chapter 41 The Master Equation for NMR Relaxation--Single Spin Species I 170 Chapter 42 Heteronuclear Dipolar and J Relaxation 183 Chapter 43 Calculation of Autocorrelation Functions, Spectral Densities, and NMR Relaxation Times for Jump Motions in Solids 189 Chapter 44 Calculation of Autocorrelation Functions and Spectral Densities for Isotropic Rotational Diffusion 198 Chapter 45 Conclusion 202 Bibliography 203 INDEX 000

SynopsisPresents the theory of NMR enhanced with Mathematica© notebooks in a clear and concise manner A Primer of NMR Theory with calculations in Mathematica © presents the theory of NMR. Enhanced with Mathematica© notebooks that show exactly how the theory is implemented, the book rigorously covers NMR theory. The Mathematica© notebooks augment the book to demonstrate the theory and applications of NMR, as well as provide calculation templates for students and researchers. Presented in short, focused chapters the book provides a concise exposition of well-defined topics with emphasis on a mathematical description including essential results from quantum mechanics for easy use in predicting and simulating the results of NMR experiments. A Primer of NMR Theory with calculations in Mathematica © covers: The NMR spectrometer The NMR experiment Classical magnetic dipole in a magnetic field The Bloch equation(s) The vector model of NMR The density operator and density matrix The Liouville von Neumann equation Commutation relations of nuclear spin operators Time independent perturbation theory Average Hamiltonian theory The Powder Average Effects of exchange on liquid state and solid state NMR spectra The fundamental connection between molecular motion and NMR relaxation times While it is not necessary to have Mathematica© to gain understanding from this book, it is highly recommend as the reader can go through the theory presented step by step by executing the Mathematica notebooks. Readers can also copy and modify the Mathematica notebooks for assigned homework or for real research problems. The Mathematica notebooks are particularly powerful. They can be used as teaching tools and as templates for full blown research calculations. The included notebooks are extremely useful for calculation of matrix representations of nuclear spin operators and for calculation of rotations used in solid state NMR. Other notebooks provide a set of powder average angles necessary for solid state spectral simulations as well as demonstrating simulations of solid state powder patterns, effects of exchange on both liquid state and solid state NMR spectra, and for calculating explicit NMR relaxation times that can be compared to experiment. Alan J. Benesi was Director of the Pennsylvania State University NMR Facility from 1987-2012. He earned his Ph.D. in Biophysics at the University of California, Berkeley, in 1975. He has published many papers related to solid state and liquid state NMR, solid state and liquid state NMR relaxation, and rotational and translational diffusion., Präsentiert die NMR-Theorie in Verbindung mit Unterlagen aus Mathematica-Kursen. - Bietet kurze, Schwerpunktkapitel mit kurzen Erläuterungen zu definierten Themen und konzentriert sich dabei auf mathematische Beschreibungen. - Präsentiert prägnant wichtige Erkenntnisse aus der Quantenmechanik, die bei der Prognose und Simulation von Ergebnissen aus NMR-Versuchen einfach angewendet werden können. - Enthält Mathematica-Anleitungen, die die Theorie in Form von Text, Grafik, Ton und Berechnungsbeispielen praktisch umsetzen. - Geht auf bewährte Methoden des Autors aus über 25 Jahren Lehrerfahrung zurück. Die Unterlagen erläutern präzise die Theorie und bieten nützliche Berechnungsvorlagen für NMR-Forscher., Presents the theory of NMR enhanced with Mathematica© notebooks Provides short, focused chapters with brief explanations of well-defined topics with an emphasis on a mathematical description Presents essential results from quantum mechanics concisely and for easy use in predicting and simulating the results of NMR experiments Includes Mathematica notebooks that implement the theory in the form of text, graphics, sound, and calculations Based on class tested methods developed by the author over his 25 year teaching career. These notebooks show exactly how the theory works and provide useful calculation templates for NMR researchers, Presents the theory of NMR enhanced with Mathematica(c) notebooks Provides short, focused chapters with brief explanations of well-defined topics with an emphasis on a mathematical description Presents essential results from quantum mechanics concisely and for easy use in predicting and simulating the results of NMR experiments Includes Mathematica notebooks that implement the theory in the form of text, graphics, sound, and calculations Based on class tested methods developed by the author over his 25 year teaching career. These notebooks show exactly how the theory works and provide useful calculation templates for NMR researchers

LC Classification NumberQD96.N8B46 2015