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Volumn 55, Issue 33, 1999, Pages 10013-10026

A computational study of proton and electron affinities

Author keywords

Carbanions; Hydrocarbons; Radicals and radical reactions; Theoretical studies

Indexed keywords

ALICYCLIC AMINE; ALIPHATIC AMINE; ANION; PROTON;

EID: 0033551803     PISSN: 00404020     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0040-4020(99)00560-8     Document Type: Article
Times cited : (26)

References (53)
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    • A fair correlation (R=0.87) was found betweee the MP2 PA values of the six tertiary systems and the % s-character in the C-H bonds. A poorer correlation was found for B3LYP values and for secondary systems. Likewise, attempted correlations of PA's with % s-character of 3° anions were uniformly poor
    • A fair correlation (R=0.87) was found betweee the MP2 PA values of the six tertiary systems and the % s-character in the C-H bonds. A poorer correlation was found for B3LYP values and for secondary systems. Likewise, attempted correlations of PA's with % s-character of 3° anions were uniformly poor.
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* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.