Ab initio and density functional study on the molecular electrostatic potential of C32

Physica B: Condensed Matter

Volumn 405, Issue 12, 2010, Pages 2745-2748

  Wang, Donglai ^a   Sun, Xiaoping ^a   Xin, Guang ^a   Hou, Dongyan ^a  

^a ANSHAN NORMAL UNIVERSITY   (China)

Author keywords

Ab initio; C32 fullerene; Electrostatic potential

Indexed keywords

AB INITIO; DENSITY FUNCTIONAL THEORY METHODS; DENSITY-FUNCTIONAL STUDY; ELECTROSTATIC POTENTIAL DISTRIBUTION; ELECTROSTATIC POTENTIALS; FULLERENE ISOMERS; GEOMETRY OPTIMIZATION; HF/6-31G; MOLECULAR ELECTROSTATIC POTENTIALS; MP2/6-31G; RELATIVE STABILITIES;

ELECTRIC FURNACES; ELECTROSTATICS; FULLERENES; ISOMERS;

DENSITY FUNCTIONAL THEORY;

EID: 77953132221     PISSN: 09214526     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.physb.2010.03.065     Document Type: Article

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