Computational screening of metallofullerenes for nanoscience: Sr@C74

Molecular Simulation

Volumn 34, Issue 1, 2008, Pages 17-21

  Slanina, Zdeněk ^a   Uhlík, Filip ^b   Lee, Shyi Long ^c   Adamowicz, Ludwik ^d   Nagase, Shigeru ^a  

^a INSTITUTE FOR MOLECULAR SCIENCE   (Japan)

^b CHARLES UNIVERSITY   (Czech Republic)

^c NATIONAL CHUNG CHENG UNIVERSITY   (Taiwan)

^d University of Arizona   (United States)

Author keywords

Carbon based nanotechnology; Gibbs energy evaluations; Metallofullerenes; Optimized syntheses; Saturated metal vapors; Stability islands

Indexed keywords

DENSITY FUNCTIONAL THEORY; GIBBS FREE ENERGY; SCREENING; THERMODYNAMICS;

CARBON-BASED NANOTECHNOLOGY; GIBBS-ENERGY EVALUATIONS; METALLOFULLERENES; OPTIMIZED SYNTHESES; SATURATED METAL VAPORS; STABILITY ISLANDS;

FULLERENES;

EID: 42149118300     PISSN: 08927022     EISSN: 10290435     Source Type: Journal    
DOI: 10.1080/08927020701832173     Document Type: Article

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