Title of article
Theoretical studies on hyperpolarizabilities of nitroxide species. III. Effects of intermolecular interactions of p-NPNN on the γ
Author/Authors
Yamada، نويسنده , , S. and Nakano، نويسنده , , M. and Kiribayashi، نويسنده , , S. and Shigemoto، نويسنده , , I. and Yamaguchi، نويسنده , , K.، نويسنده ,
Issue Information
دوماهنامه با شماره پیاپی سال 1997
Pages
2
From page
1081
To page
1082
Abstract
The effects of intermolecular interactions of para-nitrophenyl nitronyl nitroxide (p-NPNN) in the crystal on the γ are investigated. The γʹs for two types of configurations, which exist in the β-phase crystal of p-NPNN, are examined by the coupled Hartree-Fock (CHF) calculations of cluster models involving up to tetramers. It is found that the intermolecular interactions in these configurations give different contributions to two large components of the γ.
Keywords
Semi-empirical method , Organic ferromagnet , nitroxide group , open-shell system , Non-linear optical materials
Journal title
Synthetic Metals
Serial Year
1997
Journal title
Synthetic Metals
Record number
2070852
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