Modeling NMR Chemical Shifts: Gaining Insights into Structure and Environment (ACS Symposium Series). Julio C. Facelli, Angel C. de Dios

Modeling NMR Chemical Shifts: Gaining Insights into Structure and Environment (ACS Symposium Series)



Download Modeling NMR Chemical Shifts: Gaining Insights into Structure and Environment (ACS Symposium Series)



Modeling NMR Chemical Shifts: Gaining Insights into Structure and Environment (ACS Symposium Series) Julio C. Facelli, Angel C. de Dios ebook pdf
Publisher:
Language: English
Page: 384
ISBN: 0841236224, 9780841236226

Review


"Addresses the use of NMR chemical shifts to gain information on molecular structure and function, looking at significant findings, new methodologies, and novel applications. Early chapters review the current state of the art in the calculation of NMR chemical shielding and its application to different areas of chemistry, such as polymers, biomolecules, and catalysis. The bulk of the book highlights findings in emerging areas including novel calculations in systems of biological interest, the importance of the local geometry on the determination of NMR chemical shifts, and modeling of chemical shifts in inorganic compounds. Material is developed from papers originating at an August 1998 symposium. The editors are associated with the University of Utah and Georgetown University."--SciTech Book News


"This book was developed from the proceedings of the Second International Symposium on NMR Chemical Shifts held in August 1998. The first four chapters review state-of-the-art research in calculations of NMR chemical shielding and its application to polymers, biomolecules, and catalysis. The remaining 19 chapters describe topical research in the field at the time of the symposium and cover such subjects as calculating chemical shifts in biological systems, understanding �H chemical shifts, elucidating the role of local geometry in defining NMR chemical shifts, and modeling chemical shifts in inorganic compounds."--Journal of the American Chemical Society


About the Author

Julio C. Facelli, Director, Center for High Performance Computing, University of Utah. Angel C. de Dios, Assistant Professor, Department of Chemistry, Georgetown University.



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