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Volumn 6, Issue 5, 2010, Pages 1532-1537

Assessment of functionals for TD-DFT calculations of singlet-triplet transitions

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EID: 77952418812     PISSN: 15499618     EISSN: 15499626     Source Type: Journal    
DOI: 10.1021/ct100005d     Document Type: Article
Times cited : (212)

References (29)
  • 24
    • 0038626673 scopus 로고    scopus 로고
    • revisions D.02 and E.01, Gaussian, Inc.: Wallingford, CT
    • Gaussian 03, revisions D.02 and E.01, Gaussian, Inc.: Wallingford, CT, 2004
    • (2004) Gaussian 03
  • 25
    • 77952363240 scopus 로고    scopus 로고
    • Gaussian, Inc.: Wallingford, CT
    • Gaussian, Inc.: Wallingford, CT, 2009
    • (2009)
  • 26
    • 70450206724 scopus 로고    scopus 로고
    • et al., revision A.2, Gaussian, Inc.: Wallingford, CT
    • et al. Gaussian 09, revision A.2, Gaussian, Inc.: Wallingford, CT, 2009.
    • (2009) Gaussian 09
  • 29
    • 77952368683 scopus 로고    scopus 로고
    • For the latter basis sets, the two largest molecules (octatetraene and naphthalene) were beyond computational reach
    • For the latter basis sets, the two largest molecules (octatetraene and naphthalene) were beyond computational reach.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.