Title of article
Multi-directional charge transfers introduced by multiple substitutions and their effects on molecular hyperpolarizability: an ab initio theoretical study
Author/Authors
Tomonari، نويسنده , , Mutsumi and Ookubo، نويسنده , , Norio and Takada، نويسنده , , Toshikazu، نويسنده ,
Issue Information
دوماهنامه با شماره پیاپی سال 1996
Pages
6
From page
137
To page
142
Abstract
The missing-orbital analysis and simplified sum-over-states calculations are applied to study the diagonal and off-diagonal components of hyperpolarizability, βzzz and βzxx, respectively, in relation to the multi-directional charge transfer of various tetra-substituted ring molecules.
Keywords
Hyperpolarizability , Theoretical study , Molecular orbitals , Sum-over-states calculations , Missing-orbital analysis
Journal title
Synthetic Metals
Serial Year
1996
Journal title
Synthetic Metals
Record number
2070280
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