Title of article
A general study of the spin population of α-nitronyl nitroxide radicals: radicals with crystals presenting dominant ferro or antiferromagnetic behavior
Author/Authors
Deumal، نويسنده , , Mercè and Lafuente، نويسنده , , Pilar and Mota، نويسنده , , Fernando and Novoa، نويسنده , , Juan J، نويسنده ,
Issue Information
دوماهنامه با شماره پیاپی سال 2001
Pages
7
From page
477
To page
483
Abstract
The atomic spin population of all the α-nitronyl nitroxide radicals whose crystals present dominant ferro or antiferromagnetic properties is computed at the B3LYP/6-31G(d) level, searching for changes and similarities in their spin distribution. The quali
Keywords
Nitronyl nitroxides , Atomic spin population , Ab initio computations , Molecular magnets
Journal title
Synthetic Metals
Serial Year
2001
Journal title
Synthetic Metals
Record number
2075178
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