Analysis of C 60 doping with gallium, indium and phosphorus using Semiempirical molecular modelling

Journal of Computational and Theoretical Nanoscience

Volumn 6, Issue 1, 2009, Pages 85-88

  Ibrahim, Medhat ^a   El Haes, Hanan ^b   Jalbout, A F ^c   Hameed, Ali Jameel ^d   De Leon, A ^c  

^a NATIONAL RESEARCH CENTRE   (Egypt)

^b Ain Shams University   (Egypt)

^c INSTITUTO DE CIENCIAS NUCLEARES   (Mexico)

^d UNIVERSITY OF BASRAH   (Iraq)

Author keywords

C 60; Hetero fullerenes; Pm3

Indexed keywords

ATOMIC CHARGE DISTRIBUTIONS; C-C BONDS; C 60; DOPED FULLERENE; EFFECT OF DOPING; HEAT OF FORMATION; HETERO-FULLERENES; MOLECULAR MODELLING; PARAMETRIC METHOD; PM3; SEMI-EMPIRICAL; SEMIEMPIRICAL MOLECULAR ORBITAL CALCULATIONS; STRUCTURAL FEATURE;

ATOMS; CHARGE DISTRIBUTION; CHARGED PARTICLES; ELECTRIC DIPOLE MOMENTS; FULLERENES; GALLIUM; MOLECULAR MODELING; MOLECULAR ORBITALS; MOLECULAR SPECTROSCOPY; PHOSPHORUS; THERMOCHEMISTRY; VIBRATIONAL SPECTRA;

DOPING (ADDITIVES);

EID: 66249124351     PISSN: 15461955     EISSN: None     Source Type: Journal    
DOI: 10.1166/jctn.2009.1010     Document Type: Article

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