메뉴 건너뛰기




Volumn 102, Issue 50, 1998, Pages 10459-10467

Molecular structures, tautomerism, and carbon nucleophilcity of free-base inverted porphyrim and carbaporphyrins: A density functional theoretical study

Author keywords

[No Author keywords available]

Indexed keywords


EID: 0001631622     PISSN: 10895647     EISSN: None     Source Type: Journal    
DOI: None     Document Type: Article
Times cited : (79)

References (35)
  • 12
    • 11744261334 scopus 로고    scopus 로고
    • note
    • The ADF program is obtainable from Scientific Computing and Modelling, Department of Thepretical Chemistry. Vrije University, 1081 HV Amstrerdam, The Netherlands.
  • 28
    • 0001512607 scopus 로고    scopus 로고
    • Molecule 4 has been previously studied at the B3LYP/6-31G **// B3LYP/6-31G level and its energy was found to be 4.6 Kcal/mol above 1: Szterenberg, L.; Latos-Grazynski, L. Inorg. Chem. 1997, 36, 6287.
    • (1997) Inorg. Chem. , vol.36 , pp. 6287
    • Szterenberg, L.1    Latos-Grazynski, L.2
  • 29
    • 11744260255 scopus 로고    scopus 로고
    • note
    • For an NL-DFT optimized structure of porphyrin, see Figure 4 in ref 15b.
  • 31
    • 33751500487 scopus 로고
    • (b) J. Phys. Chem. 1991, 95, 4180.
    • (1991) J. Phys. Chem. , vol.95 , pp. 4180


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.