Ab initio study of bond characteristics and magnetic properties of mixed-sandwich vnBzmCpk clusters

Journal of Physical Chemistry A

Volumn 114, Issue 6, 2010, Pages 2319-2323

  Zhang, Xiuyun ^a   Wang, Jinlan ^a  

^a SOUTHEAST UNIVERSITY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO; AB INITIO STUDY; BOND CHARACTERISTICS; CYCLOPENTADIENYLS; DENSITY-FUNCTIONAL CALCULATIONS; RELATIVE POSITIONS; SANDWICH CLUSTERS; SPIN-POLARIZED; THERMODYNAMICALLY STABLE;

BENZENE; MAGNETIC PROPERTIES; NUCLEAR ENERGY; POTENTIAL ENERGY; SPIN DYNAMICS;

BINDING ENERGY;

BENZENE; CYCLOPENTANE DERIVATIVE; ORGANOMETALLIC COMPOUND; VANADIUM;

ARTICLE; CHEMISTRY; COMPUTER SIMULATION; MAGNETISM; QUANTUM THEORY;

BENZENE; COMPUTER SIMULATION; CYCLOPENTANES; MAGNETICS; ORGANOMETALLIC COMPOUNDS; QUANTUM THEORY; VANADIUM;

EID: 77649110538     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/jp907834v     Document Type: Article

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