Molecular Orbital Models Of Am1 And Pm3 Multi-Ring Silica Clusters And Their Infrared Spectra

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.

Author
J K West Et Al
Origin
Univ Florida, Usa
Journal Title
Phys Chem Glasses 39 5 1998 301-304
Sector
Special Glass
Class
S 1566

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Molecular Orbital Models Of Am1 And Pm3 Multi-Ring Silica Clusters And Their Infrared Spectra
Phys Chem Glasses 39 5 1998 301-304
S 1566
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