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A Molecular Modeling of the Bonded Interactions of Crystalline Silica

Organic Silicon Compounds (1998)

  1. G. V. Gibbs,
  2. M. B. Boisen Jr

Published Online: 15 DEC 2009

DOI: 10.1002/9780470682531.pat0164

Patai's Chemistry of Functional Groups

Patai's Chemistry of Functional Groups

How to Cite

Gibbs, G. V. and Boisen, M. B. 2009. A Molecular Modeling of the Bonded Interactions of Crystalline Silica. Patai's Chemistry of Functional Groups. .

Author Information

  1. Materials Science and Engineering and Mathematics, Departments of Geological Sciences, Blacksburg, VA, USA

Publication History

  1. Published Online: 15 DEC 2009

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Abstract

  • 1
    Introduction
  • 2
    Bond Length–Bond Strength Variations in Silicates and Related Molecules
  • 3
    A Potential Energy Surface for the Si[BOND]O[BOND]Si Skeleton of the Disilicic Acid Molecule
  • 4
    Bond Critical Point Properties of the Electron Density Distribution of the Skeletal Si[BOND]O[BOND]Si Unit
  • 5
    A Reproduction of the Structures and Related Properties of the Known Silica Polymorphs
  • 6
    A Generation of New Structure Types for Silica
  • 7
    Concluding Remarks
  • 8
    Acknowledgments

Keywords:

  • silicate bonded interactions;
  • molecular modeling of crystalline silica bonded interactions;
  • resonance bond numbers;
  • disilicic acid H6Si2O7 molecule geometry;
  • electron density distribution of crystal and bond critical point;
  • minimum energy Si[BOND]O bond length;
  • silica polymorphs Si[BOND]O bond length and Si[BOND]O[BOND]Si angle variations;
  • generation new silica structure types