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Volumn 109, Issue 51, 2005, Pages 11996-12005

Effects of peripheral substituents and axial ligands on the electronic structure and properties of cobalt porphyrins

Author keywords

[No Author keywords available]

Indexed keywords

AXIAL LIGANDS; COBALT TETRAPHENYLPORPHYRIN (COTPP); IONIZATION POTENTIALS;

EID: 30344435016     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp058212b     Document Type: Article
Times cited : (29)

References (43)
  • 5
    • 0003607021 scopus 로고
    • Katritzky, A. R., Rees, C. W., Eds.; Pergamon: Oxford
    • (e) Smith, K. M. In Comprehensive Heterocyclic Chemistry; Katritzky, A. R., Rees, C. W., Eds.; Pergamon: Oxford, 1984; Vol. 4.
    • (1984) Comprehensive Heterocyclic Chemistry , vol.4
    • Smith, K.M.1
  • 33
    • 6344273306 scopus 로고    scopus 로고
    • SCM: Theoretical Chemistry, Vrije Universiteit, Amsterdam, The Netherlands
    • ADF2004.01; SCM: Theoretical Chemistry, Vrije Universiteit, Amsterdam, The Netherlands; http://www.scm.com.
    • ADF2004.01
  • 42
    • 30344439392 scopus 로고    scopus 로고
    • note
    • g (which are 1.07 and 1.68 eV, respectively, for CoTPP) are unreasonable. It is stated that, for the present version of ADF, hybrid functionals cannot be used in combination with frozen cores (ADF2004.01 User's Guide).


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.