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Volumn 13, Issue 4, 2011, Pages 604-607

ExTTF-based dyes absorbing over the whole visible spectrum

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EID: 79951658791     PISSN: 15237060     EISSN: 15237052     Source Type: Journal    
DOI: 10.1021/ol102845m     Document Type: Article
Times cited : (31)

References (37)
  • 33
    • 79951664067 scopus 로고    scopus 로고
    • Vertical transitions to the lowest-energy electronic states were calculated at both the B3LYP/6-31G * and PBE0/6-31G * levels. Both calculation levels lead to identical descriptions of the electronic transitions in terms of monoelectronic excitations, but the PBE0 functional provides slightly higher excitation energies (see Table S2).
    • Vertical transitions to the lowest-energy electronic states were calculated at both the B3LYP/6-31G* and PBE0/6-31G* levels. Both calculation levels lead to identical descriptions of the electronic transitions in terms of monoelectronic excitations, but the PBE0 functional provides slightly higher excitation energies (see Table S2).


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.