Silicate glass molecular orbitals

Kumar et al used spectroscopic techniques such as NMR to study the properties and structures of mixed glass systems. Rosenhahn et al. obtained insight into the structure and dynamics of the binary As-Se glass system from high temperature Se NMR studies of molten salts. Ab initio molecular orbital calculations have been carried out for sihcate, aluminosilicate and aluminate clusters to study the NMR characteristics of various types of hydroxyl that are possibly present in hydrous silicate glasses and melts. Xue and Kanzaki in particular studied the specification and dynamics of dissolved water in the silicate glasses. 

Uchino, T., Sakka, T., Ogata, Y., and Iwasaki, M. (1992) Changes in the Stmcture of Alkali-Metal Silicate Glasses with the type of Network Modifer Cation An ab initio Molecular Orbital Study, J. Phys. Chem., 96,2455-2463. 

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