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Volumn 69, Issue 19, 2004, Pages 6202-6213

Modeling substituent and conformational effects on the reactivity of antitumor agents containing a cyclopropylcyclohexadienone subunit

Author keywords

[No Author keywords available]

Indexed keywords

ACTIVATION ENERGY; AMMONIA; CATALYSIS; DERIVATIVES; DRUG PRODUCTS; MATHEMATICAL MODELS; REACTION KINETICS; SOLVENTS;

EID: 4644255898     PISSN: 00223263     EISSN: None     Source Type: Journal    
DOI: 10.1021/jo049193p     Document Type: Article
Times cited : (5)

References (80)
  • 61
    • 4644306856 scopus 로고    scopus 로고
    • note
    • Although the solvent effects on a reaction that produces zwitterionic species from neutral reactants play as expected a key role, the only computational study that addressed so far the catalyzed vs uncatalysed reactivity of CPI has been performed in gas phase (ref 26).
  • 68
    • 4644276527 scopus 로고    scopus 로고
    • note
    • (b) For a more comprehensive treatment of solvation models see:
  • 79
    • 4644251779 scopus 로고    scopus 로고
    • note
    • Dipole moments calculated with 6-31G(d) basis sets in water bulk.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.