Title of article
Theoretical studies of intra- and inter-molecular magnetic interaction of organic polyradicals with S=32 and 2 spin sites
Author/Authors
Taniguchi، نويسنده , , T. and Kawakami، نويسنده , , T. and Yamaguchi، نويسنده , , K.، نويسنده ,
Issue Information
دوماهنامه با شماره پیاپی سال 2003
Pages
3
From page
585
To page
587
Abstract
Intra- and inter-molecular effective exchange integrals (Jab) in the crystals of BIP-TENO and PNN-BNO are calculated by ab initio MO method based on DFT. It is found that the USVWN method evaluates them close to the experimental data obtained by Hosokoshi et al.
Keywords
Organic polyradical , BIP-TENO , PNN-BNO , DFT , Effective exchange integral
Journal title
Synthetic Metals
Serial Year
2003
Journal title
Synthetic Metals
Record number
2077343
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