Ab initio study of structural, electronic, and magnetic properties of V n (C 60) m Complexes

Journal of Physical Chemistry A

Volumn 113, Issue 18, 2009, Pages 5406-5413

  Zhang, Xiuyun ^a   Wang, Jinlan ^a   Zeng, Xiao Cheng ^b  

^a SOUTHEAST UNIVERSITY   (China)

^b UNIVERSITY OF NEBRASKA LINCOLN   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

A-DENSITY; AB INITIO STUDY; C60 MOLECULES; FULLERENE COMPLEXES; HEXAGONAL RINGS; LOWEST ENERGY STRUCTURE; PENTAGONAL RINGS; RELATIVE STABILITIES; SPIN STATE; STACKED CONFIGURATION; STACKING CONFIGURATIONS;

ATOMS; BINDING SITES; DENSITY FUNCTIONAL THEORY; FULLERENES; LITHIUM COMPOUNDS; MAGNETIC PROPERTIES; SPIN DYNAMICS; TRANSITION METALS;

BINDING ENERGY;

EID: 65649127746     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp8064272     Document Type: Article

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