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Silicate / Tetrahedron / Zussmanite / Siloxane / Rings of Saturn / Ring strain / Ab initio quantum chemistry methods / Crystal structure / Pabstite / Chemistry / Excipients / Silicon dioxide


American Mineralogist, Volume 66, pages[removed],l98I A molecular orbital study of rings in silicatesand siloxanes Bnyex C. CnerouMAKos Department of Geological Sciences Virginia Polytechnic Institute and State Univers
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Document Date: 2007-03-20 18:48:00


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Victoriq / CHAKOUMAKOS ET / /

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Ford / Brown / Virginia 24061 Abstract Ab / /

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Geological Sciences Virginia Polytechnic Institute / Mineral Chemistry Port / /

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othe lowest energy configuration / telrehedra energy rlng / minimum energy / energy-optimized geometriesfor cyclotrisiloxane / minimum energy configuration / potential energy curve / lowest energy configuration / potential energy wells / potential energy curve decreases / energy curve / potential energy / energy barriers / energy calculatedfor / minimum energy ring / flat energy curve / electrostaticpotential energy calculations / gas phase molecule / gas-phasemolecule / function electrostatic energy / minimum-energy / Potential energy curves / a-l t_ energy hypersurface / possessthe lowest energy / energy / /

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Bnyex C. CnerouMAKos Department / Polytechnic Institute / /

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Mineralogist / /

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Ohio / /

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hybridization / spectroscopy / 3G / /

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