A semi-empirical molecular orbital study of freestanding and fullerene-encapsulated Mo nanoclusters

Molecular Simulation

Volumn 34, Issue 10-15, 2008, Pages 891-903

  Elliott, James A ^a   Shibuta, Yasushi ^b  

^a UNIVERSITY OF CAMBRIDGE   (United Kingdom)

^b UNIVERSITY OF TOKYO   (Japan)

Author keywords

AM1*; Carbon nanotube synthesis; Chemical vapour deposition; Molybdenum nanoclusters; Semi empirical molecular orbital theory

Indexed keywords

CARBON; CARBON CLUSTERS; CHEMICAL VAPOR DEPOSITION; FULLERENES; MOLECULAR MODELING; MOLECULAR ORBITALS; MOLECULES; MOLYBDENUM; NANOCLUSTERS; NANOCOMPOSITES; NANOSTRUCTURED MATERIALS; NANOSTRUCTURES; NANOTUBES; NONMETALS; OXYGEN; STUDIOS; SULFUR; SYNTHESIS (CHEMICAL); TRANSITION METALS;

AM1; CARBON NANOTUBE SYNTHESIS; CHEMICAL VAPOUR DEPOSITION; MOLYBDENUM NANOCLUSTERS; SEMI-EMPIRICAL MOLECULAR ORBITAL THEORY;

CARBON NANOTUBES;

EID: 56749185537     PISSN: 08927022     EISSN: 10290435     Source Type: Journal    
DOI: 10.1080/08927020802258724     Document Type: Article

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