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Volumn 70, Issue 2, 1998, Pages 253-267

Density functional investigations of carboxyl free radicals: Formyloxyl, acetyloxyl, and benzoyloxyl radicals

Author keywords

Carbonyloxyl radicals; CASPT2; Chemical reactions; DFT; Isomerizations

Indexed keywords


EID: 0000242053     PISSN: 00207608     EISSN: None     Source Type: Journal    
DOI: 10.1002/(SICI)1097-461X(1998)70:2<253::AID-QUA2>3.0.CO;2-T     Document Type: Article
Times cited : (32)

References (45)
  • 23
    • 25544474582 scopus 로고
    • O. Gunnarson and B. I. Lundqvist, Phys. Rev. B 13, 4274 (1976); 15, 6006(E) (1978).
    • (1978) Phys. Rev. B , vol.15
  • 31
    • 11644268721 scopus 로고
    • J. P. Perdew, J. A. Chevary, S. H. Vosko, K. A. Jackson, M. R. Pederson, D. J. Singh, and C. Fiolhais, Phys. Rev. B 46, 6671 (1992); 48, 4978 (1993).
    • (1993) Phys. Rev. B , vol.48 , pp. 4978


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.