Correlating geminal 2JSi–O–Si couplings to structure in framework silicates-Reference-Cited by-同舟云学术

Correlating geminal 2JSi–O–Si couplings to structure in framework silicates

Published:2018 Issue:1 Volume:20 Page:562-571
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Srivastava D. J.¹²³,Florian P.⁴⁵⁶⁷,Baltisberger J. H.⁸⁹¹⁰¹¹³,Grandinetti P. J.¹²³^ORCID

Affiliation:

1. Department of Chemistry and Biochemistry

2. Columbus

3. USA

4. CNRS

5. UPR3079 CEMHTI

6. 45071 Orléans Cedex 2

7. France

8. Division of Natural Science

9. Mathematics, and Nursing

10. Berea College

11. Berea

Abstract

The dependence of a ²⁹Si geminal J coupling across the inter-tetrahedral linkage on local structure was examined using first-principles DFT calculations.

Funder

Division of Chemistry

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2018/CP/C7CP06486A

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4. Prediction of silicon-29 nuclear magnetic resonance chemical shifts using a group electronegativity approach: applications to silicate and aluminosilicate structures

5. Pentacoordinate silicon in high-pressure crystalline and glassy phases of calcium disilicate (CaSi2O5)

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