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Ab initio calculations of conformational effects on 13 c nmr spectra of amorphous polymers

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. 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 It reviews the present state of the art, reports previously unpublished results, and indicates ways for further development in the future.

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  • "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. 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 It reviews the present state of the art, reports previously unpublished results, and indicates ways for further development in the future."@en

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  • "Electronic books"@en

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  • "Ab Initio calculations of conformational effects on ¹³C NMR spectra of amorphous polymers"
  • "Ab initio calculations of conformational effects on 13 C NMR spectra of amorphous polymers"
  • "Ab Initio Calculations of Conformational Effects on 13C NMR Spectra of Amorphous Polymers"
  • "Ab initio calculations of conformational effects on 13 c nmr spectra of amorphous polymers"@en
  • "Ab initio calculations of conformational effects on ¹³C NMR spectra of amorphous polymers"@en
  • "Ab initio calculations of conformational effects on _1hn1_1hn3C NMR spectra of amorphous polymers"
  • "Ab initio calculations of conformational effects on 13C NMR spectra of amorphous polymers"

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