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
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
Journal title :
Synthetic Metals
