Efficient quantum-chemical geometry optimization and the structure of large icosahedral fullerenes

Chemical Physics Letters

Volumn 422, Issue 4-6, 2006, Pages 451-454

  Dunlap, Brett I ^a   Zope, Rajendra R ^b  

^a NAVAL RESEARCH LABORATORY   (United States)

^b GEORGE WASHINGTON UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTATIONAL GEOMETRY; FUNCTIONS; OPTIMIZATION; PROBABILITY DENSITY FUNCTION; QUANTUM THEORY; SET THEORY;

CROSS DIFFERENTIATION; GAUNT COEFFICIENTS; ICOSAHEDRAL FULLERENES; MULTI-CENTER INTEGRALS;

FULLERENES;

EID: 33646474572     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2006.02.100     Document Type: Article

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