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Volumn 110, Issue 31, 2006, Pages 15291-15294

Functionalization of carbon nanotubes with Vaska's complex: A theoretical approach

Author keywords

[No Author keywords available]

Indexed keywords

NANOTECHNOLOGY; QUANTUM THEORY; TRANSITION METALS;

EID: 33748285833     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp060929r     Document Type: Article
Times cited : (20)

References (51)
  • 22
    • 37049243182 scopus 로고
    • Vaska, L. Science 1963, 140, 809.
    • (1963) Science , vol.140 , pp. 809
    • Vaska, L.1
  • 25
    • 84906373483 scopus 로고    scopus 로고
    • ADF2004.01, SCM, Theoretical Chemistry, Vrije Universiteit, Amsterdam, The Netherlands
    • ADF2004.01, SCM, Theoretical Chemistry, Vrije Universiteit, Amsterdam, The Netherlands, http://www.scm.com.
  • 51
    • 84906404996 scopus 로고    scopus 로고
    • note
    • When comparing the energy of π and π* Orbitals, the different size of the QM part, included in calculations, must be taken into account. Thus, smaller QM parts could result in slightly higher computed energy gaps.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.