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Ab Initio Calculations of Conformational Effects on 13C NMR Spectra of Amorphous Polymers
Author
Title
Ab Initio Calculations of Conformational Effects on 13C NMR Spectra of Amorphous Polymers [electronic resource] / by R. Born, H. W. Spiess.
ISBN
9783642606441
Published
Berlin, Heidelberg : Springer Berlin Heidelberg, 1997.
Physical Description
1 online resource.
Local Notes
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Summary
The elucidation of the structure of amorphous systems is one of the most challenging problems of condensed-matter research. Our lack of knowledge about the detailed structure of disordered systems on the molecular level contrasts with the rapidly growing importance of such materials in science and technology. Solid state NMR is of key importance in this area, since it can provide detailed information about internuclear distances and torsional angles in crystals and glasses alike. Common examples of amorphous systems are glassy polymers. There, structural information is encoded in the chemical shifts of 13C-NMR spectra. <BR>This volume presents a powerful new approach to unravel this information by combining polymer statistical models, quantum chemistry and solid state NMR. It reviews the present state of the art, reports previously unpublished results, and indicates ways for further development in the future.
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Springer ebooks.
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Printed edition:
Format
Books / Online
Language
English
Added to Catalog
February 05, 2013
Series
NMR Basic Principles and Progress, 35
Contents
<B>From the contents:</B> Introduction
Notions and Concepts in Chain Molecules and Quantum Chemistry
Method of <I>ab initio</I> Simulation of Solid State NMR Spectra
The Example of Atactic Poly(propylene)
Some Remarks on the Method
Application to Other Polymers
Conclusion.
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