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Volumn 9, Issue 20, 2007, Pages 2517-2530

On the σ,π-energy separation of the aromatic stabilization energy of cyclobutadiene

Author keywords

[No Author keywords available]

Indexed keywords

1,3 BUTADIENE DERIVATIVE; CYCLOBUTANE DERIVATIVE;

EID: 34248654855     PISSN: 14639076     EISSN: None     Source Type: Journal    
DOI: 10.1039/b700914n     Document Type: Article
Times cited : (14)

References (59)
  • 22
    • 34248652316 scopus 로고    scopus 로고
    • In ref. 3 the antiaromaticity of CBD is characterized by a quantity called extrinsic antiaromaticity E(ean)CBD, which differs from ASE(CBD) only by the sign
    • In ref. 3 the antiaromaticity of CBD is characterized by a quantity called extrinsic antiaromaticity E(ean)CBD, which differs from ASE(CBD) only by the sign
  • 29
    • 34248634221 scopus 로고    scopus 로고
    • An explicit example for the dominance of unbalanced terms is shown in Table 3 of ref. 14
    • An explicit example for the dominance of unbalanced terms is shown in Table 3 of ref. 14
  • 34
    • 34248658184 scopus 로고    scopus 로고
    • 33 The ROHF-EOM-SF-CCSD energy found for the latter geometry was -154.44 254 a.u. Ref. 33 provides extensive references on earlier high quality calculations on CBD
    • 33 The ROHF-EOM-SF-CCSD energy found for the latter geometry was -154.44 254 a.u. Ref. 33 provides extensive references on earlier high quality calculations on CBD
  • 48
    • 34248659577 scopus 로고    scopus 로고
    • w1 and w2 describe stabilizations and are therefore inherently negative
    • w1 and w2 describe stabilizations and are therefore inherently negative


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.