Ab initio calculated geometries and charge distributions for H4SiO4 and H6Si2O7 compared with experimental values for silicates and siloxanes
- 1 September 1980
- journal article
- Published by Springer Nature in Physics and Chemistry of Minerals
- Vol. 6 (3) , 221-246
- https://doi.org/10.1007/bf00309858
Abstract
No abstract availableKeywords
This publication has 54 references indexed in Scilit:
- How some simple solids hold together. The use of the fragment formalism in crystal chemistryJournal of the American Chemical Society, 1980
- Variation of mean Si–O bond lengths in silicon–oxygen tetrahedraActa Crystallographica Section B: Structural Science, Crystal Engineering and Materials, 1978
- GAUSSIAN 76: an ab initio molecular orbital programPublished by Office of Scientific and Technical Information (OSTI) ,1978
- Silicon–oxygen bond lengths, bridging angles Si–O–Si and synthetic low tridymiteActa Crystallographica Section B: Structural Science, Crystal Engineering and Materials, 1977
- Self-consistent molecular orbital methods. XVII. Geometries and binding energies of second-row molecules. A comparison of three basis setsThe Journal of Chemical Physics, 1976
- Ab initio calculations on the silicate ion, orthosilicic acid and their L2,3 X-ray spectraJournal of the Chemical Society, Faraday Transactions 2: Molecular and Chemical Physics, 1972
- Self-Consistent Molecular-Orbital Methods. IX. An Extended Gaussian-Type Basis for Molecular-Orbital Studies of Organic MoleculesThe Journal of Chemical Physics, 1971
- 1077. The rôle of 3d-orbitals in π-bonds between (a) silicon, phosphorus, sulphur, or chlorine and (b) oxygen or nitrogenJournal of the Chemical Society, 1961
- Resonance and conjugation—II Factors determining bond lengths and heats of formationTetrahedron, 1960
- Chemical bonds involving d-orbitals. Part IJournal of the Chemical Society, 1954