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Volumn 121, Issue 1-2, 2008, Pages 71-82

A quantum mechanical study of the stability and structural properties of substituted acylthiourea compounds

Author keywords

Acylthiourea; AIM; Conformations; NBO; NRF

Indexed keywords


EID: 51749098509     PISSN: 1432881X     EISSN: None     Source Type: Journal    
DOI: 10.1007/s00214-008-0451-6     Document Type: Article
Times cited : (22)

References (60)
  • 21
    • 51749092294 scopus 로고    scopus 로고
    • M.Sc thesis, University of Stellenbosch, South Africa
    • Woldu MG (2004) M.Sc thesis, University of Stellenbosch, South Africa
    • (2004)
    • Woldu, M.G.1
  • 58
    • 34250076287 scopus 로고
    • (translated from Slivko SA, Kharitonov YuYa, Kuznetsov SL, Gushchina TN (1993) Zh Strukt Khim 34(2):58-65)
    • Slivko SA, Kharitonov YuYa, Kuznetsov SL, Gushchina TN (1993) J Struct Chem 34:225-231 (translated from Slivko SA, Kharitonov YuYa, Kuznetsov SL, Gushchina TN (1993) Zh Strukt Khim 34(2):58-65)
    • (1993) J Struct Chem , vol.34 , pp. 225-231
    • Slivko, S.A.1    Kharitonov, Yu.Ya.2    Kuznetsov, S.L.3    Gushchina, T.N.4
  • 59
    • 36649020243 scopus 로고    scopus 로고
    • A scale factor for the 6-311G(d) basis set is not available. The value of 0.943 is the average of the factors listed for the MP2 level of theory, and is thus only an approximation
    • Merrick JP, Moran D, Radom L (2007) J Phys Chem A 111:11683-11700. A scale factor for the 6-311G(d) basis set is not available. The value of 0.943 is the average of the factors listed for the MP2 level of theory, and is thus only an approximation
    • (2007) J Phys Chem A , vol.111 , pp. 11683-11700
    • Merrick, J.P.1    Moran, D.2    Radom, L.3


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.