Modeling NMR Chemical Shifts: Gaining Insights into Structure and Environment

Author:   Julio C. Facelli (Director, Center for High Performance Computing, Director, Center for High Performance Computing, University of Utah) ,  Angel C. de Dios (Assistant Professor)
Publisher:   American Chemical Society
Volume:   732
ISBN:  

9780841236226


Pages:   368
Publication Date:   21 October 1999
Format:   Hardback
Availability:   In Print   Availability explained
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Modeling NMR Chemical Shifts: Gaining Insights into Structure and Environment


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Overview

This volume reviews the brief history of NMR chemical shielding and presents 'snap shots' of the developing field, including: new methodologies to calculate NMR chemical shifts, calculation of chemical shifts in molecular systems of biological interest, advances in the undestanding of chemical shifts, and the modelling of chemical shifts in inorganic compounds.

Full Product Details

Author:   Julio C. Facelli (Director, Center for High Performance Computing, Director, Center for High Performance Computing, University of Utah) ,  Angel C. de Dios (Assistant Professor)
Publisher:   American Chemical Society
Imprint:   American Chemical Society
Volume:   732
Dimensions:   Width: 15.80cm , Height: 2.30cm , Length: 23.60cm
Weight:   0.627kg
ISBN:  

9780841236226


ISBN 10:   0841236224
Pages:   368
Publication Date:   21 October 1999
Audience:   Professional and scholarly ,  Professional & Vocational
Format:   Hardback
Publisher's Status:   No Longer Our Product
Availability:   In Print   Availability explained
This item will be ordered in for you from one of our suppliers. Upon receipt, we will promptly dispatch it out to you. For in store availability, please contact us.

Table of Contents

Reviews

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


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


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<br> 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 1H 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<br>


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


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 (1)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


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