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Ab initio periodic Hartree-Fock study of lizardite 1T
Ab Hartree-Fock lizardite 1T
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2012/4/9
Aperiodic ab initio Hartree-Fock LCAO study wasperformed on the 1:1 sheet silicate lizardite, Mg3SiP,(OH)4, which has P31m symmetry. Atotal of 258 atomic orbitals were described using double-zeta-qual...