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Volumn 121, Issue 4, 2004, Pages 1736-1743

Theoretical investigation of substituted anthraquinone dyes

Author keywords

[No Author keywords available]

Indexed keywords

ANTHRAQUINONES; DENSITY FUNCTIONAL THEORY (DFT); MULTIPLE-LINEAR REGRESSION (MLR) TECHNIQUES;

EID: 3442898736     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1764497     Document Type: Article
Times cited : (119)

References (60)
  • 3
    • 0003974931 scopus 로고    scopus 로고
    • NIC, 2nd ed., edited by J. Grotendorst (John von Neumann Institute for Computing, Jülich)
    • A. Schäfer, in Modern Methods and Algorithms of Quantum Chemistry, NIC Vol. 3, 2nd ed., edited by J. Grotendorst (John von Neumann Institute for Computing, Jülich, 2000).
    • (2000) Modern Methods and Algorithms of Quantum Chemistry , vol.3
    • Schäfer, A.1
  • 16
    • 3442885697 scopus 로고    scopus 로고
    • note
    • -5 a.u.
  • 43
  • 49
    • 3442889692 scopus 로고    scopus 로고
    • note
    • If one removes the dimensions of the basis sets related to these small eigenvalues, the obtained results (although to be taken cautiously) are very similar to the one obtained with the 6-311G (d, p) basis set.
  • 50
    • 0004267777 scopus 로고
    • The Royal Society of Chemistry, Cambridge, UK
    • R. M. Christie, Colour Chemistry (The Royal Society of Chemistry, Cambridge, UK, 1991).
    • (1991) Colour Chemistry
    • Christie, R.M.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.