Computing fullerene encapsulation of non-metallic molecules: N 2@C60 and NH3@C60

Molecular Simulation

Volumn 31, Issue 12, 2005, Pages 801-806

  Slanina, Z ^a,b   Uhlik F ^c   Adamowicz, L ^d   Nagase, S ^a  

^a INSTITUTE FOR MOLECULAR SCIENCE   (Japan)

^b INSTITUTE OF CHEMISTRY   (Taiwan)

^c CHARLES UNIVERSITY   (Czech Republic)

^d University of Arizona   (United States)

Author keywords

Bonding and stability; Carbon based nanoscience; Endohedral fullerenes; Gibbs energy evaluations; Molecular encapsulation

Indexed keywords

ENTROPY; GIBBS FREE ENERGY; PERTURBATION TECHNIQUES; POTENTIAL ENERGY; PROBABILITY DENSITY FUNCTION; VIBRATIONS (MECHANICAL);

BONDING AND STABILITY; CARBON-BASED NANOSCIENCE; ENDOHEDRAL FULLERENES; GIBBS-ENERGY EVALUATION; MOLECULAR ENCAPSULATION;

FULLERENES;

EID: 27744557793     PISSN: 08927022     EISSN: None     Source Type: Journal    
DOI: 10.1080/08927020500283966     Document Type: Article

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