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Volumn 980, Issue 1-3, 2010, Pages 230-244

Ab initio Hartree-Fock and density functional theory investigations on the conformational stability, molecular structure and vibrational spectra of 3-(2-(4-methylpiperazin-1-yl)-2-oxoethyl)benzo[d]thiazol-2(3H)-one

Author keywords

Benzothiazolon; Conformational stability; DFT; FT IR; PES; Piperazine

Indexed keywords

BENZOTHIAZOLON; CONFORMATIONAL STABILITIES; DFT; FT-IR; PES; PIPERAZINE;

EID: 77956055793     PISSN: 00222860     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.molstruc.2010.07.022     Document Type: Article
Times cited : (26)

References (54)
  • 12
    • 2142694452 scopus 로고
    • Fujisavata Pharmaceutical Co., Ltd., FR 2035788
    • Fujisavata Pharmaceutical Co., Ltd., FR 2035788, 1971 (Chem. Abstr. 1971).
    • (1971) Chem. Abstr.
  • 26
    • 0003825713 scopus 로고    scopus 로고
    • Russell D. Johnson III (Eds.) NIST Standard Reference Database Number 101, Release 14, September . <
    • Russell D. Johnson III (Eds.), NIST Computational Chemistry Comparison and Benchmark Database, NIST Standard Reference Database Number 101, Release 14, September 2006. < http://srdata.nist.gov/cccbdb >.
    • (2006) NIST Computational Chemistry Comparison and Benchmark Database


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.