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Volumn 70, Issue 18, 2005, Pages 7098-7106

Modeling acid and cationic catalysis on the reactivity of duocarmycins

Author keywords

[No Author keywords available]

Indexed keywords

ALKYLATION; CATALYSIS; COMPLEXATION; DRUG PRODUCTS; ELECTROSTATICS; MATHEMATICAL MODELS; ORGANIC ACIDS; SOLVENT EXTRACTION;

EID: 24144492999     PISSN: 00223263     EISSN: None     Source Type: Journal    
DOI: 10.1021/jo050751p     Document Type: Article
Times cited : (10)

References (77)
  • 24
    • 0043076445 scopus 로고    scopus 로고
    • (c) J. Org. Chem. 2003, 68, 6411.
    • (2003) J. Org. Chem. , vol.68 , pp. 6411
  • 54
    • 0001475454 scopus 로고    scopus 로고
    • For a specific reference to the PBEO/6-31G(d) level of theory, see: (b) Adamo, C.; Barone, V. J. Chem. Phys. 1999, 110, 6158.
    • (1999) J. Chem. Phys. , vol.110 , pp. 6158
    • Adamo, C.1    Barone, V.2
  • 62
    • 33645592629 scopus 로고    scopus 로고
    • note
    • (b) For a more comprehensive treatment of solvation models,
  • 65
    • 33645589656 scopus 로고    scopus 로고
    • note
    • The differences between the reactive systems is not due to the slightly different solvation method (C-PCM vs PCM) used by us, since PCM calculations on CPI1 and 9-methyladenine confirms similar data.
  • 70
    • 33645583503 scopus 로고    scopus 로고
    • note
    • Further investigations on the effect of hydrogen-bonding with the DNA on the alkylation adduct stability is in progress in our group.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.