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Volumn 2, Issue 2, 2005, Pages 180-201

Modeling of stability and phase transformations in quasi-zero dimensional nanocarbon systems

Author keywords

Diamond; Nanoparticles; Phase transitions; Theory and simulation

Indexed keywords

APPROXIMATION THEORY; CARBON NANOTUBES; CHEMICAL VAPOR DEPOSITION; COMPUTER SIMULATION; DIAMONDS; FULLERENES; MATHEMATICAL MODELS; MOLECULAR DYNAMICS; PHASE TRANSITIONS; THERMODYNAMIC STABILITY;

EID: 27644560291     PISSN: 15461955     EISSN: None     Source Type: Journal    
DOI: 10.1166/jctn.2005.102     Document Type: Review
Times cited : (33)

References (89)
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    • note
    • This term is used here to describe simulations of various levels of sophistication, where the techniques are based on solutions of Schrodinger's equation. While semi-empirical techniques such as Tight Binding will be included, empirical and multi-scale methods will be omitted from this review, for the purposes of conciseness.
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    • edited by Enrico Clementi, ESCOM Science Publishers B. V., and Leiden, The Netherlands
    • M. Parrinello, in Modern Techniques in Computational Chemistry: MOTECC-91, edited by Enrico Clementi, ESCOM Science Publishers B. V., and Leiden, The Netherlands (1991), p. 833.
    • (1991) Modern Techniques in Computational Chemistry: MOTECC-91 , pp. 833
    • Parrinello, M.1
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    • Theoretical methods and results for electronic-structure calculations on very large systems - Carbon clusters
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    • See for example
    • See for example http://www.nirim.go.jp/kobayak/readme.html
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    • Hyperchem.™ Windows Molecular Modelling System, Hypercube, Inc. and Autodesk, Inc. Developed by Hypercube, Inc
    • Hyperchem.™ Windows Molecular Modelling System, Hypercube, Inc. and Autodesk, Inc. Developed by Hypercube, Inc.
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    • SPARTAN. developed by Hall M.L
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* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.