Theory

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Theory

• 2D NMR
  Introduction to (high resolution) multidimensional solution NMR spectroscopy. Description of line-shapes, product operator formalism, phase-cycling, pulsed field gradients and relaxation. By James Keeler. Also contains the full text of "EMBO Course: Il Ciocco" lecture notes.
• Applications for measuring scalar and residual dipolar couplings in proteins
  By Perttu Permi. The entire paper and dissertation is available in pdf format.
• Biomolecular structure determination by using solid state NMR spectroscopy
  Solid state NMR methodology for structure determination of uniformly labeled peptides. Also, a new algorithm for structure determination that uses distance and angle constraints obtainable from NMR data. From the Griffin lab at MIT.
• Biomolecular structure determination by using solution NMR spectroscopy
  Bibliography of G.M.Clore: Reviews and original papers on protein structure determination by solution NMR spectroscopy. Some of the reviews are introductory and the others are intended for experts.
• Distance geometry by T.Havel
  Description of the distance geometry method used in biomolecular structure determination.
• Electron Spin Angular Momentum and Magnetic Moment
  Dirac's equation and prediction of spin.
• FT NMR spectroscopy: Nobel Lecture
  Insightful discussion of many aspects of FTNMR, multi-dimensional NMR and MRI by Nobel laureate R.R.Ernst.
• Index of Spectral Problems
  A set of interesting and useful problems in NMR spectral elucidation.
• Lecture Course: NMR Spectroscopy
  A well written introduction to the theory of NMR.
• Lecture Course: NMR Spectroscopy
  A very good and very useful course in the basic and advanced theory of NMR Spectroscopy. Covers 1D and 2D.
• Lecture notes from workshop at TIFR on theory of solid state NMR spectroscopy?
  Description of the NMR hamiltonians for solid state, theory of decoupling, multiple quantum MAS
• Levitt group publications
  A list of the variopus publications from the Levitt group. Theere are some that can be downloaded. From 1994 to 2004.
• NMR Consultant IOC RAS
  A topic wise list of books and reviews on NMR theory and applications. And a brief list of the people working in each field.
• NMR Course Basic concepts and explanation of 1, 2- and 3 dimensional NMR experiments; including a section on the commonly used 'building blocks' of pulse sequences. Nice diagrams and (shockwave?) animation.
• NMR Laboratory
  Quite a bit of information and theory are presented in a well thought out, easily understood manner. Practical tips, techniques and discussion of various NMR procedures and experiments.
• NMR Spectroscopy
  The EDISON course notes - from NMR basics to protein structure and dynamics. (powerpoint slides)
• NMR Spectroscopy
  Very good description of chemical shift. A complete course from basics to descriptions of 2D experiments. By Angel de Dios
• NMR spectroscopy
  Lecture notes from NMR course covering many concepts. Power point slides by Guillermo Moyna.
• Nuclear Magnetic Resonance Quantum Computing (NMRQC)
  Applications and introduction to the principles of magnetic resonance based quantum computing
• Oliver Zerbe
  Lecture notes, exerscises, theory, tables, mostly dealing with pharmacology and NMR.
• Principles of nuclear induction
  Nobel lecture by Felix Bloch.
• Problems and Answers for Basic and Advanced NMR Course
  A set of NMR questions with answers. Spectra-structure problems as well as theoretical questions are included.
• Theory of Nuclear Magnetic Relaxation in liquids
  Derivation of the master equation for relaxation in liquids (Redfield relaxation equation). Hamiltonians for dipolar, quadrupolar and CSA relaxation. Auto and cross correlations and relation to internal motion. PDF file by Nagarajan Murali.
• TROSY
  Pervushin's List of Publications including those on TROSY, trans hydrogen bond scalar couplings, determination of phi,psi.
  
  Advanced Topics
• A Proton NMR Shielding Model for the Face of a Phenyl Ring
  Slide show.
• Diffusion
  Topicwise list of diffusion related references and a list of NMR diffusometry links.
• EPR spectroscopy (Electron Paramagnetic Resonance)
  Lectures, slide presentations and thesis on the theory and applications of pulsed and solid state ESR spectroscopy (electron spin resonance) by Gunnar Jeschke. (PDF files)
• Functional Magnetic Resonance Imaging of the Brain
  A thesis written by Stuart Clare of the Oxford Centre for Functional Magnetic Resonance Imaging of the Brain. Extensive theory of FMRI.
• hyperpolarized xenon in biology by Andrea Cherubini and Angelo Bifone
  Review (Progress in NMR spectroscopy)
• Increase in signal-to-noise ratio of > 10,000 times in liquid-state NMR PNAS -- Abstracts: Ardenkj Larsen et al. 100 (18): 10158
  Hyperpolarization in the liquid state created by dissolving a solid sample that has been polarized by dynamic nuclear polarization (DNP) at low temperature in a high magnetic field.
• METAFoR: J. Bact -- Reprint (PDF) Version: Sauer et al. 181 (21):6679
  Metabolic Flux Ratio Analysis of Genetic and Environmental Modulations of Escherichia coli Central Carbon Metabolism
• NMR of Oriented Molecules
  A list of references.
• PNAS -- Reprint (PDF) Version: Frydman et al. 99 (25):15858
  Multidimensional NMR spectra within a single scan.
• Principles and demonstrations of quantum information processing by NMR spectroscopy
  Quantum computing using macroscopic pseudo-pure states described by some of the pioneers in this field.(pdf)
• Quantum computing using nmr
  A paper describing the use of high resolution NMR theory and techniques for performing quantum computation. By D.Cory, A.Fahmy and T.Havel. Downloadable postscript file.
• Quantum computing using NMR
  Principles and critical assessment of prospects for use of magnetic resonance phenomena in quantum computing
• TROSY: PNAS -- Reprint (PDF) Version: Pervushin et al. 94 (23):12366
  Attenuated T2 relaxation by mutual cancellation of dipole-dipole coupling and chemical shift anisotropy indicates an avenue to NMR structures of very large biological macromolecules in solution. By Konstantin Pervushin, Roland Riek, Gerhard Wider, and Kurt Wüthrich
  
  Basic NMR and MRI Theory
  
• 2-D Correlations
  Description of some commonly used experiments useful for homonuclear (COSY, DQF-COSY, Relayed-COSY, TOCSY, ROESY)and heteronuclear correlation (XHCORR, COLOC, 2D-J resolved) with diagrammatic representation of pulse sequences. Some sample spectra are included.
• 2D NMR Summary
  An introduction to the theory of 1D and 2D NMR. And, a description of common pulse sequences used for study of organic molecules.
• Advanced NMR course
  Concise explanations of pulse sequences commonly used in studies of organic compounds (vector model graphics and some animations for clarifying the concepts). Covers basic concepts of pulsed NMR, including phase-cycling, building blocks, decoupling, 2D homonuclear and heteronuclear experiments, 3D NMR etc.
• Andras Perzel: NMR Spectroscopy Lecture notes on the basics of NMR by András Perczel. Requires strong math background.
• Applications of 1H NMR spectroscopy A nice tutorial with lots of diagrams.
  
• Australian National University NMRC Center Discussion of PFG, HMBC, and NOE experiments with application notes.
• Basic MRI Short primer on imaging for radiological (X-RAY) type people.
• Basic NMR and MRI theory A very basic introduction to the theory of MRI. Written from the perspective of the user.
• Basics of NMR A very good comprehensive treatment of NMR, includes some math and animation.
• Biomolecular NMR spectroscopy Slide show on various techniques of protein NMR, etc.
  
• Chem 572 Home Page NMR and other spectroscopic methods for identification of molecules.
• Chemistry 4823 A near complete "how to" booklet for basic NMR techniques. Very useful for the beginner.
• Chemistry 625 An excellent set of notes about basic NMR theory, MS, and practical applications. Chemical shift tables.
• CIVM: Physics of MRM Short description of theory of MRM magnetic resonance microscopy imaging.
• Course on NMR Information on NMR in a downloadable E-book [Pdf].
  
• DRUSCH Nuclear Magnetic Resonance Gaussmeter Turning a measurement of the magnetic field strength into a frequency measurement (NMR gaussmeter)
• Faraday's Magnetic Field Induction Experiment Faraday's experiment regarding the motion of magnetic fields and electromagnetic induction demonstrated using an interactive Java tutorial.
• Guide to NOE Experiments A discussion of the effects and causes of nuclear overhauser effect.
• Magnetic resonance spectroscopy Lecture notes (part of the open courseware of MIT)
• MRI PHYSICS: A slide show for teaching chemists about basic theory of MRI.
  
• NMR A nice little intro to NMR spectroscopy theory.
• NMR - A Short Course by Uwe Oehler Just as the title says a short course on the basics of NMR.
• NMR at Widener University An outline that demonstrates the teaching of MR using various software packages. Uses MATHCAD.
• NMR Class By Daniel Armata. Includes lecture notes and some procedures.
• NMR Spectroscopy NMR Spectroscopy. Principles and Application. A well written intro to NMR theory. Written by Henry Rzepa.
  
• NMR Spectroscopy. A simple explanation of NMR and how it works. A level or two up discusses POLYMER Chemistry.
• NMR Theory A Power Point slide presentation of some aspects of NMR.
• NMR Tutorials A set of tutorials written by Prof. F. Ann Walker, of University of Arizona. Which covers 1D, 2D NMR basics as well as Chemical exchange. Soem very good simple programs are also included which are excellent for learning NMR theory.
• NMR_lectures Theory of NMR. From Guillermo Moyna.
• Nuclear Magnetic Resonance Spectroscopy (NMR) Some nicely done class notes for NMR, for use in Organic Synthesis..
  
• OutSource, Inc. MR Self-Study: Basic MR Principles A good site to learn a few NMR principles.
• Practical Applications of NMR Spectroscopy in Biochemistry. This course provides a graduate level introduction to the use of modern multi-dimensional NMR techniques for study of biopolymers in solution. Both classical and quantum descriptions of nuclear magnetic resonance are described, followed by a discussion of the fundamentals of data processing and biopolymer structure determination.
• Proton NMR Tutorial Very good short tutorial for beginning NMR jocks.
• Spin theory in Photochemistry List of PDF files describing spin theory with a focus on photochemistry
• The Basics of MRI Hypertext book by Joseph P. Hornak, Ph.D. [English, Japanese, and Russian]
• Tutorial About Basic NMR Theory, uses MDL for molecule display.
• What is NMR? A simple explanation of splitting, and NMR in general.
  
  Interpretation Theory
  
• Chemistry 5331-
  Another full course of NMR theory , advanced and basic. Mainly for structure elucidation.
• Chemistry 781-a complete course of NMR theory, with assignment theory and techniques for assignments discussed, with examples.
• Hyperactive Molecules Example NMR-Spectroscopy-An excellent series of short interpretation pages. You will need the chime plug-in.
  
  
  NMR experiments
• HomoSpoil Experiments on AVANCE
  This article describes five attempts of HomoSpoil usage on AVANCE DRX spectrometer. Although all the attempts were successful by no means HomoSpoil experiments might claim to the same quality level as performed with the Gradient unit.