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Volumn 68, Issue 19, 2003, Pages 7350-7360

A detailed investigation of subsitituent effects on N-H bond enthalpies in aniline derivatives and on the stability of corresponding N-centered radicals

Author keywords

[No Author keywords available]

Indexed keywords

CHEMICAL BONDS; DERIVATIVES; DISSOCIATION; ENTHALPY;

EID: 0141789838     PISSN: 00223263     EISSN: None     Source Type: Journal    
DOI: 10.1021/jo0269215     Document Type: Article
Times cited : (39)

References (74)
  • 45
    • 0141696767 scopus 로고    scopus 로고
    • note
    • The "ground-state effect" is an unfortunate misnomer because both molecules and radicals under study were assumed to be in the ground states, and no species in excited states were involved.
  • 49
    • 0141585056 scopus 로고    scopus 로고
    • note
    • (b) Due to the linear correlation problem of 6-311+G(2d,2p), the NBO results for the parent anilino radical were fitted by 6-311G(2d,2p). The fitting errors are expected to be negligible.
  • 54
    • 0141473471 scopus 로고    scopus 로고
    • note
    • 3.
  • 74
    • 0141585053 scopus 로고    scopus 로고
    • note
    • R). The weights for other terms are defined in the same fashion. This scheme can estimate the factors that control the substituent effects more accurately than the commonly one because it puts all the substituent parameters derived from different experimental approaches on the same numerical scale.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.