Title of article :
Ab initio investigation of the temporary anion states of silane and the linear silanes: (SinH2n+2), n=2–5
Author/Authors :
Falcetta، Marco F. نويسنده , , M.F and Jordan، نويسنده , , K.D، نويسنده ,
Issue Information :
روزنامه با شماره پیاپی سال 1999
Pages :
7
From page :
588
To page :
594
Abstract :
The stabilization method is used in conjunction with Koopmansʹ theorem to calculate the energies of the unfilled molecular orbitals appropriate for describing the low-lying anion states of the linear silanes, SinH2n+2, with n=1–5. In agreement with earlier studies, the lowest energy unfilled molecular orbital for each member of the n⩾3 silanes is found to be largely SiH2 σ* in character.
Journal title :
Chemical Physics Letters
Serial Year :
1999
Journal title :
Chemical Physics Letters
Record number :
1776810
Link To Document :
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