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Volumn 39, Issue 12, 2000, Pages 2095-2097

The valence isomerization of cyclooctatetraene to semibullvalene

Author keywords

Ab initio calculations; Cyclooctatetraene; Semibullvalene; Valence isomerization

Indexed keywords

1,3,5,7 CYCLOOCTATETRAENE; ALKADIENE; SEMIBULLVALENE; UNCLASSIFIED DRUG;

EID: 0034674307     PISSN: 14337851     EISSN: None     Source Type: Journal    
DOI: 10.1002/1521-3773(20000616)39:12<2095::AID-ANIE2095>3.0.CO;2-L     Document Type: Article
Times cited : (27)

References (19)
  • 3
    • 0005332341 scopus 로고
    • H. Jiao, P. von R. Schleyer, Angew. Chem. 1993, 105, 1830-1833; Angew. Chem. Int. Ed. Engl. 1993, 32, 1760-1763.
    • (1993) Angew. Chem. , vol.105 , pp. 1830-1833
    • Jiao, H.1    Schleyer, P.V.R.2
  • 4
    • 33748225178 scopus 로고
    • H. Jiao, P. von R. Schleyer, Angew. Chem. 1993, 105, 1830-1833; Angew. Chem. Int. Ed. Engl. 1993, 32, 1760-1763.
    • (1993) Angew. Chem. Int. Ed. Engl. , vol.32 , pp. 1760-1763
  • 8
    • 77955132676 scopus 로고
    • R. Huisgen, F. Mietzsch, Angew. Chem. 1964, 76, 36-38; Angew. Chem. Int. Ed. Engl. 1964, 3, 83-87.
    • (1964) Angew. Chem. Int. Ed. Engl. , vol.3 , pp. 83-87
  • 16
    • 0342478201 scopus 로고    scopus 로고
    • note
    • The G2(MP2) and G2 procedures were introduced by Pople and coworkers[15, 16] with the purpose of making reliable theoretical predictions. The two methods differ in their implementation of additivity approximations but each corresponds effectively to calculations at the QCISD(T)/6-311 + G(3df,2p) level with MP2(full)/ 6-31G(d) optimized geometries. Scaled HF/6-31G(d) zero-point vibrational energies and higher level corrections accommodate the remaining deficiencies.
  • 19
    • 0342912504 scopus 로고    scopus 로고
    • note
    • 8 family of isomers.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.