Ab initio calculated geometries and charge distributions for H4SiO4 and H6Si2O7 compared with experimental values for silicates and siloxanes

Author:

Newton M. D.,Gibbs G. V.

Publisher

Springer Science and Business Media LLC

Subject

Geochemistry and Petrology,General Materials Science

Reference90 articles.

1. Appelo, C.A.J.: Layer deformation and crystal energy of micas and related minerals. I. Structural models for 1M and 2M1 polytypes. Am. Mineral. 63, 782?792 (1978)

2. Baur, W.H.: The prediction of bond length variations in silicon-oxygen bonds. Am. Mineral. 56, 1573?1599 (1971)

3. Baur, W.H.: Silicon-oxygen bond lengths, bridging angles, SiOSi and synthetic low tridymite. Acta Crystallogr. Sect. B: 33, 2615?2619 (1977)

4. Baur, W.H.: Variation of mean Si-O bond lengths in silicon-oxygen tetrahedra. Acta Crystallogr. Sect. B: 34, 1751?1756 (1978)

5. Binkley, J.S.: The 6-6-31G basis is an elaboration of the 4-4-31G basis (private communication) (1979)

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