{"product_id":"a-primer-of-nmr-theory-with-calculations-in-mathematica-isbn-9781118588994","title":"A Primer of NMR Theory with Calculations in Mathematica","description":"Presents the theory of NMR enhanced with Mathematica© notebooks\u003cbr\u003e \u003cbr\u003e \u003cul\u003e \u003cli\u003eProvides short, focused chapters with brief explanations of well-defined topics with an emphasis on a mathematical description\u003c\/li\u003e \u003cli\u003ePresents essential results from quantum mechanics concisely and for easy use in predicting and simulating the results of NMR experiments\u003c\/li\u003e \u003cli\u003eIncludes \u003ci\u003eMathematica\u003c\/i\u003e notebooks that implement the theory in the form of text, graphics, sound, and calculations\u003c\/li\u003e \u003cli\u003eBased 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\u003c\/li\u003e \u003c\/ul\u003ePräsentiert die NMR-Theorie in Verbindung mit Unterlagen aus Mathematica-Kursen.\u003cbr\u003e \u003cbr\u003e - Bietet kurze, Schwerpunktkapitel mit kurzen Erläuterungen zu definierten Themen und konzentriert sich dabei auf mathematische Beschreibungen.\u003cbr\u003e - Präsentiert prägnant wichtige Erkenntnisse aus der Quantenmechanik, die bei der Prognose und Simulation von Ergebnissen aus NMR-Versuchen einfach angewendet werden können.\u003cbr\u003e - Enthält Mathematica-Anleitungen, die die Theorie in Form von Text, Grafik, Ton und Berechnungsbeispielen praktisch umsetzen.\u003cbr\u003e - 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.\u003cbr\u003e \u003cp\u003ePreface viii\u003c\/p\u003e \u003cp\u003eChapter 1 Introduction 1\u003c\/p\u003e \u003cp\u003eChapter 2 Using Mathematicac; Homework Philosophy 3\u003c\/p\u003e \u003cp\u003eChapter 3 The NMR Spectrometer 4\u003c\/p\u003e \u003cp\u003eChapter 4 The NMR Experiment 7\u003c\/p\u003e \u003cp\u003eChapter 5 Classical Magnets and Precession 11\u003c\/p\u003e \u003cp\u003eChapter 6 The Bloch Equation in the Laboratory Reference Frame 16\u003c\/p\u003e \u003cp\u003eChapter 7 The Bloch Equation in the Rotating Frame 19\u003c\/p\u003e \u003cp\u003eChapter 8 The Vector Model 23\u003c\/p\u003e \u003cp\u003eChapter 9 Fourier Transform of the NMR Signal 29\u003c\/p\u003e \u003cp\u003eChapter 10 Essentials of Quantum Mechanics 31\u003c\/p\u003e \u003cp\u003eChapter 11 The Time]Dependent Schrodinger Equation, Matrix Representation of Nuclear Spin Angular Momentum Operators 35\u003c\/p\u003e \u003cp\u003eChapter 12 The Density Operator 39\u003c\/p\u003e \u003cp\u003eChapter 13 The Liouville–von Neumann Equation 41\u003c\/p\u003e \u003cp\u003eChapter 14 The Density Operator at Thermal Equilibrium 42\u003c\/p\u003e \u003cp\u003eChapter 15 Hamiltonians of NMR: Isotropic Liquid]State Hamiltonians 45\u003c\/p\u003e \u003cp\u003eChapter 16 The Direct Product Matrix Representation of Coupling Hamiltonians HJ and HD 50\u003c\/p\u003e \u003cp\u003eChapter 17 Solving the Liouville–Von Neumann Equation for the Time Dependence of the Density Matrix 54\u003c\/p\u003e \u003cp\u003eChapter 18 The Observable NMR Signal 59\u003c\/p\u003e \u003cp\u003eChapter 19 Commutation Relations of Spin Angular Momentum Operators 61\u003c\/p\u003e \u003cp\u003eChapter 20 The Product Operator Formalism 65\u003c\/p\u003e \u003cp\u003eChapter 21 NMR Pulse Sequences and Phase Cycling 68\u003c\/p\u003e \u003cp\u003eChapter 22 Analysis of Liquid]State NMR Pulse Sequences with the Product Operator Formalism 72\u003c\/p\u003e \u003cp\u003eChapter 23 Analysis of the Inept Pulse Sequence with Program Shortspin and Program Poma 78\u003c\/p\u003e \u003cp\u003eChapter 24 The Radio Frequency Hamiltonian 82\u003c\/p\u003e \u003cp\u003eChapter 25 Comparison of 1D and 2D NMR 86\u003c\/p\u003e \u003cp\u003eChapter 26 Analysis of the HSQC, HMQC, and DQF]COSY 2D NMR Experiments 89\u003c\/p\u003e \u003cp\u003eChapter 27 Selection of Coherence Order Pathways with Phase Cycling 96\u003c\/p\u003e \u003cp\u003eChapter 28 Selection of Coherence Order Pathways with Pulsed Magnetic Field Gradients 104\u003c\/p\u003e \u003cp\u003eChapter 29 Hamiltonians of NMR: Anisotropic Solid]State Internal Hamiltonians in Rigid Solids 111\u003c\/p\u003e \u003cp\u003eChapter 30 Rotations of Real Space Axis Systems—Cartesian Method 120\u003c\/p\u003e \u003cp\u003eChapter 31 Wigner Rotations of Irreducible Spherical Tensors 123\u003c\/p\u003e \u003cp\u003eChapter 32 Solid]State NMR Real Space Spherical Tensors 129\u003c\/p\u003e \u003cp\u003eChapter 33 Time]Independent Perturbation Theory 134\u003c\/p\u003e \u003cp\u003eChapter 34 Average Hamiltonian Theory 141\u003c\/p\u003e \u003cp\u003eChapter 35 The Powder Average 144\u003c\/p\u003e \u003cp\u003eChapter 36 Overview of Molecular Motion and NMR 147\u003c\/p\u003e \u003cp\u003eChapter 37 Slow, Intermediate, And Fast Exchange In Liquid]State Nmr Spectra 150\u003c\/p\u003e \u003cp\u003eChapter 38 Exchange in Solid]State NMR Spectra 154\u003c\/p\u003e \u003cp\u003eChapter 39 N MR Relaxation: What is NMR Relaxation and what Causes it? 163\u003c\/p\u003e \u003cp\u003eChapter 40 Practical Considerations for the Calculation of NMR Relaxation Rates 168\u003c\/p\u003e \u003cp\u003eChapter 41 The Master Equation for NMR Relaxation—Single Spin Species I 170\u003c\/p\u003e \u003cp\u003eChapter 42 Heteronuclear Dipolar and J Relaxation 183\u003c\/p\u003e \u003cp\u003eChapter 43 Calculation of Autocorrelation Functions, Spectral Densities, and NMR Relaxation Times for Jump Motions in Solids 189\u003c\/p\u003e \u003cp\u003eChapter 44 Calculation of Autocorrelation Functions and Spectral Densities for Isotropic Rotational Diffusion 198\u003c\/p\u003e \u003cp\u003eChapter 45 Conclusion 202\u003c\/p\u003e \u003cp\u003eBibliography 203\u003c\/p\u003e \u003cp\u003eINDEX 000\u003c\/p\u003e \u003cb\u003eAlan J. Benesi\u003c\/b\u003e 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.  \u003cp\u003e\u003cb\u003ePresents the theory of NMR enhanced with Mathematica© notebooks in a clear and concise manner\u003cbr\u003e \u003cbr\u003e \u003c\/b\u003e\u003ci\u003eA Primer of NMR Theory with calculations in Mathematica\u003c\/i\u003e© 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.\u003cbr\u003e \u003cbr\u003e 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.\u003cbr\u003e \u003cbr\u003e \u003ci\u003eA Primer of NMR Theory with calculations in Mathematica\u003c\/i\u003e© covers:\u003cbr\u003e \u003cbr\u003e The NMR spectrometer\u003cbr\u003e The NMR experiment\u003cbr\u003e Classical magnetic dipole in a magnetic field\u003cbr\u003e The Bloch equation(s)\u003cbr\u003e The vector model of NMR\u003cbr\u003e The density operator and density matrix\u003cbr\u003e The Liouville von Neumann equation\u003cbr\u003e Commutation relations of nuclear spin operators\u003cbr\u003e Time independent perturbation theory\u003cbr\u003e Average Hamiltonian theory\u003cbr\u003e The Powder Average\u003cbr\u003e Effects of exchange on liquid state and solid state NMR spectra\u003cbr\u003e The fundamental connection between molecular motion and NMR relaxation times\u003cbr\u003e \u003cbr\u003e 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.\u003cbr\u003e \u003cbr\u003e 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.\u003cbr\u003e \u003cbr\u003e 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.\u003c\/p\u003e","brand":"Wiley","offers":[{"title":"Default Title","offer_id":47988642906341,"sku":"NP9781118588994","price":72.5,"currency_code":"USD","in_stock":false}],"thumbnail_url":"\/\/cdn.shopify.com\/s\/files\/1\/1842\/7735\/files\/9781118588994.jpg?v=1761781089","url":"https:\/\/k12savings.com\/es\/products\/a-primer-of-nmr-theory-with-calculations-in-mathematica-isbn-9781118588994","provider":"K12savings","version":"1.0","type":"link"}