Direct versus mediated through-space magnetic interactions: A first principles, bottom-up reinvestigation of the magnetism of the pyridyl-verdazyl:hydroquinone molecular co-crystal

Chemistry - A European Journal

Volumn 12, Issue 15, 2006, Pages 3995-4005

  Jornet, Joaquim ^a   Deumal, Mercè ^a   Ribas Ariño, Jordi ^a   Bearpark, Michael J ^b   Robb, Michael A ^b   Hicks, Robin G ^c   Novoa, Juan J ^a  

^a UNIVERSITY OF BARCELONA   (Spain)

^b IMPERIAL COLLEGE LONDON   (United Kingdom)

^c UNIVERSITY OF VICTORIA   (Canada)

Author keywords

Density functional calculations; Magnetic properties; Radicals; Through bond interactions; Through space interactions

Indexed keywords

CRYSTAL ORIENTATION; CRYSTALS; MAGNETIC PROPERTIES; MOLECULAR DYNAMICS; PROBABILITY DENSITY FUNCTION; TOPOLOGY;

DENSITY FUNCTIONAL CALCULATIONS; RADICALS; THROUGH-BOND INTERACTIONS; THROUGH-SPACE INTERACTIONS;

MAGNETIZATION;

EID: 33646796698     PISSN: 09476539     EISSN: 15213765     Source Type: Journal    
DOI: 10.1002/chem.200501182     Document Type: Article

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