NMR Crystallography / Edition 2

Hardcover (Print)
Used and New from Other Sellers
Used and New from Other Sellers
from $147.05
Usually ships in 1-2 business days
(Save 20%)
Other sellers (Hardcover)
  • All (7) from $147.05   
  • New (5) from $147.05   
  • Used (2) from $163.80   


The content of this volume has been added to eMagRes (formerly Encyclopedia of Magnetic Resonance) - the ultimate online resource for NMR and MRI.

The term "NMR Crystallography" has only recently come into common usage, and even now causes raised eyebrows within some parts of the diffraction community. The power of solid-state NMR to give crystallographic information has considerably increased since the CPMAS suite of techniques was introduced in 1976. In the first years of the 21st century, the ability of NMR to provide information to support and facilitate the analysis of single-crystal and powder diffraction patterns has become widely accepted. Indeed, NMR can now be used to refine diffraction results and, in favorable cases, to solve crystal structures with minimal (or even no) diffraction data. The increasing ability to relate chemical shifts (including the tensor components) to the crystallographic location of relevant atoms in the unit cell via computational methods has added significantly to the practice of NMR crystallography. Diffraction experts will increasingly welcome NMR as an allied technique in their structural analyses. Indeed, it may be that in the future crystal structures will be determined by simultaneously fitting diffraction patterns and NMR spectra.

This Handbook is organised into six sections. The first contains an overview and some articles on fundamental NMR topics, followed by a section concentrating on chemical shifts, and one on coupling interactions. The fourth section contains articles describing how NMR results relate to fundamental crystallography concepts and to diffraction methods. The fifth section concerns specific aspects of structure, such as hydrogen bonding. Finally, four articles in the sixth section give applications of NMR crystallography to structural biology, organic & pharmaceutical chemistry, inorganic & materials chemistry, and geochemistry.

About EMR Handbooks / eMagRes Handbooks

The Encyclopedia of Magnetic Resonance (up to 2012) and eMagRes (from 2013 onward) publish a wide range of online articles on all aspects of magnetic resonance in physics, chemistry, biology and medicine. The existence of this large number of articles, written by experts in various fields, is enabling the publication of a series of EMR Handbooks / eMagRes Handbooks on specific areas of NMR and MRI. The chapters of each of these handbooks will comprise a carefully chosen selection of articles from eMagRes. In consultation with the eMagRes Editorial Board, the EMR Handbooks / eMagRes Handbooks are coherently planned in advance by specially-selected Editors, and new articles are written (together with updates of some already existing articles) to give appropriate complete coverage. The handbooks are intended to be of value and interest to research students, postdoctoral fellows and other researchers learning about the scientific area in question and undertaking relevant experiments, whether in academia or industry.

Have the content of this Handbook and the complete content of eMagRes at your fingertips!
Visit: www.wileyonlinelibrary.com/ref/eMagRes

View other eMagRes publications here

Read More Show Less

Editorial Reviews

From the Publisher
“In summing up my book review, I would again quote Professor Harris from reference (2): ‘Perhaps now is the time to consider constituting a division of NMR crystallography within the International Union of Crystallography. Certainly a formal or semi-formal link with the solid-state NMR community is desirable’. Forearmed with this book, I would support that proposal. This book, I would also conclude, should be in the library of crystallographic laboratories, across all the disciplines.”  (Crystallography Reviews, 14 February 2012)
Read More Show Less

Product Details

  • ISBN-13: 9780470699614
  • Publisher: Wiley
  • Publication date: 12/29/2009
  • Series: eMagRes Books Series, #4
  • Edition number: 2
  • Pages: 520
  • Product dimensions: 7.50 (w) x 9.90 (h) x 1.30 (d)

Table of Contents


Series Preface.

Volume Preface.

Part A: Introduction.

1 Crystallography & NMR: an Overview (Robin K. Harris).

2 Tensors in NMR (S. Chandra Shekar, Alexej Jerschow).

3 Computation of Magnetic Resonance Parameters for Crystalline Systems: Principles (Jonathan R. Yates, Chris J. Pickard).

4 Experimental Characterization of Nuclear Spin Interaction Tensors (Jeremy J. Titman).

Part B: Chemical Shifts.

5 Magnetic Shielding & Chemical Shifts: Basics (Julio C. Facelli, Anita M. Orendt).

6 Symmetry Effects at the Local Level (Matthias Bechmann, Angelika Sebald).

7 Chemical Shift Computations for Crystalline Molecular Systems: Practice (Robin K. Harris, Paul Hodgkinson, Chris J. Pickard, Jonathan R. Yates, Vadim Zorin).

8 Chemical Shifts & Solid-state Molecular-level Structure (Anita M. Orendt, Julio C. Facelli).

9 Chemical Shift Anisotropy & Asymmetry: Relationships to Crystal Structure (James K. Harper).

Part C: Coupling Interactions.

10 Dipolar & Indirect Coupling: Basics (Roderick E. Wasylishen).

11 Dipolar Recoupling: Heteronuclear (Christopher P. Jaroniec).

12 Dipolar Recoupling: Homonuclear (Robert Tycko).

13 Dipolar Coupling: Molecular-level Mobility (Detlef Reichert, Kay Saalwächter).

14 Spin Diffusion in Crystalline Solids (Lyndon Emsley).

15 Indirect Coupling & Connectivity (Anne Lesage).

16 Nuclear Quadrupole Coupling: An Introduction & Crystallographic Aspects (Sharon E. Ashbrook, Stephen Wimperis).

Part D: Crystal Structure Determination using NMR.

17 Fundamental Principles of NMR Crystallography (Francis Taulelle).

18 Interplay between NMR & Single-crystal X-ray Diffraction (Darren H. Brouwer).

19 Combined Analysis of NMR & Powder Diffraction Data (Kenneth D.M. Harris, Mingcan Xu).

20 Tensor Interplay (David L. Bryce).

Part E: Properties of the Crystalline State.

21 Intermolecular Interactions & Structural Motifs (Lindsay S. Cahill, Gillian R. Goward).

22 Hydrogen Bonding in Crystalline Organic Solids (Steven P. Brown).

23 Inorganic Non-stoichiometric Crystalline Systems & Atomic Ordering (Mark E. Smith).

24 Rotational & Translational Dynamics (Christopher I. Ratcliffe).

25 Intramolecular Motion in Crystalline Organic Solids (Paul Hodgkinson).

26 Structural Phase Transitions (Kenneth R. Jeffrey, Glenn H. Penner).

Part F: Applications of NMR to Crystalline Solids.

27 Structural Biology (David A. Middleton).

28 Organic & Pharmaceutical Chemistry (Marek J. Potrzebowski).

29 Inorganic & Materials Chemistry (Ray Dupree).

30 Geochemistry (Brian L. Phillips).


Read More Show Less

Customer Reviews

Be the first to write a review
( 0 )
Rating Distribution

5 Star


4 Star


3 Star


2 Star


1 Star


Your Rating:

Your Name: Create a Pen Name or

Barnes & Noble.com Review Rules

Our reader reviews allow you to share your comments on titles you liked, or didn't, with others. By submitting an online review, you are representing to Barnes & Noble.com that all information contained in your review is original and accurate in all respects, and that the submission of such content by you and the posting of such content by Barnes & Noble.com does not and will not violate the rights of any third party. Please follow the rules below to help ensure that your review can be posted.

Reviews by Our Customers Under the Age of 13

We highly value and respect everyone's opinion concerning the titles we offer. However, we cannot allow persons under the age of 13 to have accounts at BN.com or to post customer reviews. Please see our Terms of Use for more details.

What to exclude from your review:

Please do not write about reviews, commentary, or information posted on the product page. If you see any errors in the information on the product page, please send us an email.

Reviews should not contain any of the following:

  • - HTML tags, profanity, obscenities, vulgarities, or comments that defame anyone
  • - Time-sensitive information such as tour dates, signings, lectures, etc.
  • - Single-word reviews. Other people will read your review to discover why you liked or didn't like the title. Be descriptive.
  • - Comments focusing on the author or that may ruin the ending for others
  • - Phone numbers, addresses, URLs
  • - Pricing and availability information or alternative ordering information
  • - Advertisements or commercial solicitation


  • - By submitting a review, you grant to Barnes & Noble.com and its sublicensees the royalty-free, perpetual, irrevocable right and license to use the review in accordance with the Barnes & Noble.com Terms of Use.
  • - Barnes & Noble.com reserves the right not to post any review -- particularly those that do not follow the terms and conditions of these Rules. Barnes & Noble.com also reserves the right to remove any review at any time without notice.
  • - See Terms of Use for other conditions and disclaimers.
Search for Products You'd Like to Recommend

Recommend other products that relate to your review. Just search for them below and share!

Create a Pen Name

Your Pen Name is your unique identity on BN.com. It will appear on the reviews you write and other website activities. Your Pen Name cannot be edited, changed or deleted once submitted.

Your Pen Name can be any combination of alphanumeric characters (plus - and _), and must be at least two characters long.

Continue Anonymously

    If you find inappropriate content, please report it to Barnes & Noble
    Why is this product inappropriate?
    Comments (optional)