Theoretical study of pure (Sin) and doped silicon (AlSin-1 and PSin-1) clusters (n=2-13) using ab initio molecular orbital theory

Journal of Computational Methods in Sciences and Engineering

Volumn 7, Issue 3-4, 2007, Pages 319-335

  Nigam, Sandeep ^a   Kulshreshtha, S K ^a   Majumder, Chiranjib ^a  

^a BHABHA ATOMIC RESEARCH CENTRE   (India)

Author keywords

[No Author keywords available]

Indexed keywords

ALUMINUM COMPOUNDS; ATOMS; BINDING ENERGY; ELECTRONIC STRUCTURE; GEOMETRY; GROUND STATE; MOLECULAR ORBITALS; SILICON; SILICON COMPOUNDS;

AB INITIO MOLECULAR ORBITAL THEORY; AVERAGE BINDING ENERGY; COORDINATION NUMBER; EQUILIBRIUM GEOMETRIES; FRAGMENTATION BEHAVIOR; GROUND STATE GEOMETRY; ISOMERIC STRUCTURES; RELATIVE STABILITIES;

DENSITY FUNCTIONAL THEORY;

EID: 78649972950     PISSN: 14727978     EISSN: None     Source Type: Journal    
DOI: 10.3233/jcm-2007-73-412     Document Type: Article

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