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Volumn 725, Issue 1-3, 2005, Pages 243-246

Semi empirical and ab initio methods for calculation of polarizability (α) and the hyperpolarizability (β) of fluorenyl molecular system: A comparative investigation

Author keywords

Ab initio; Fluorenyl; Hyperpolarizability; Non linear optics; PM5

Indexed keywords


EID: 21944448348     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.theochem.2005.02.067     Document Type: Article
Times cited : (10)

References (25)
  • 17
    • 0012214866 scopus 로고    scopus 로고
    • Fujitsu Limited, Tokyo, Japan
    • J.J.P. Stewart, MOPAC 2002, Fujitsu Limited, Tokyo, Japan (1999).
    • (1999) MOPAC 2002
    • Stewart, J.J.P.1
  • 19
    • 21944457738 scopus 로고    scopus 로고
    • Fujitsu Limited, Tokyo, Japan
    • BioMedCAChe 6.1, Fujitsu Limited, Tokyo, Japan, 2002.
    • (2002) BioMedCAChe 6.1
  • 20
    • 0025390935 scopus 로고
    • MOPAC; Semi empirical molecular orbital program
    • J.J.P. Stewart MOPAC; semi empirical molecular orbital program J. Comput. Aided Mol. Des. 4 1990 1 105
    • (1990) J. Comput. Aided Mol. Des. , vol.4 , pp. 1-105
    • Stewart, J.J.P.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.