Title of article
The intermolecular coupling through space for stacked high spin molecules
Author/Authors
Zhang، نويسنده , , J.-P. and Wang، نويسنده , , R.-S. and Wang، نويسنده , , L.-X.، نويسنده ,
Issue Information
دوماهنامه با شماره پیاپی سال 1999
Pages
2
From page
2273
To page
2274
Abstract
Intermolecular ferromagnetic interactions in two stacking models for the dimer of high spin molecules are investigated by means of AM1-CI approach. It is shown that the stability of high spin ground state versus low spin state can be simply traced back to the number and the extent of atoms with reversed signs of π-spin density in neighboring molecules coupled to each other in shortest distance
Keywords
Semiempirical AM1-CI calculations , Intermolecular coupling , High spin molecules
Journal title
Synthetic Metals
Serial Year
1999
Journal title
Synthetic Metals
Record number
2073108
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