Amorphous silica (a-silica) has a distribution of various ring sizes. Large clusters of silica tetrahedra containing various ring sizes from 8- to 3-members were modelled using both AM1 and PM3 molecular orbital methods. Bond lengths, bond angles, heats of formation and infrared spectra were compared to previous work and experimental values.
Origin
Univ Florida, Usa
Journal Title
Phys Chem Glasses 39 5 1998 301-304
Sector
Special Glass
Class
S 1566