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Volumn 6, Issue 2, 1998, Pages 283-299

Possible reaction mechanism for the formation of C60 from naphthalene: A semi-empirical and ab initio molecular orbital study

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTATIONAL METHODS; FREE RADICAL REACTIONS; MOLECULAR STRUCTURE; NAPHTHALENE; QUANTUM THEORY; REACTION KINETICS;

EID: 0032024303     PISSN: 1064122X     EISSN: None     Source Type: Journal    
DOI: 10.1080/10641229809350201     Document Type: Article
Times cited : (4)

References (22)
  • 19
    • 3643076693 scopus 로고    scopus 로고
    • note
    • All attempts to locate the corresponding TS structure by the AM1 method were unsuccessful.
  • 20
    • 3643082910 scopus 로고    scopus 로고
    • note
    • 2>: 2.10) for the UHF TS wave function and the TS geometry search has been unsuccessful by the ROHF method.
  • 21
  • 22
    • 33947490556 scopus 로고
    • Academic Press, New York
    • Woodward, R.B., Hoffmann, R., J. Am. Chem. Soc., 1965, 87, 395; "The Conservation of Orbital Symmetry", Academic Press, New York, 1969.
    • (1969) The Conservation of Orbital Symmetry


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.