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Volumn 7, Issue 7, 2001, Pages 1516-1524

A G2 study of SH+ exchange reactions involving lone-pair donors and unsaturated hydrocarbons

Author keywords

Ab initio calculations; Donor acceptor systems; Exchange reactions; Sulfur heterocycles

Indexed keywords

ACETYLENE; CHEMICAL REACTIONS; ETHYLENE;

EID: 20644461009     PISSN: 09476539     EISSN: None     Source Type: Journal    
DOI: 10.1002/1521-3765(20010401)7:7<1516::AID-CHEM1516>3.0.CO;2-Q     Document Type: Article
Times cited : (14)

References (54)
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  • 47
    • 0011083273 scopus 로고    scopus 로고
    • B3-LYP/6-31G(d) + ZPVE scaled by 0.9806 as suggested in A. P. Scott, L. Radom, J. Phys. Chem. 1996, 100 16502-16513.
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    • Scott, A.P.1    Radom, L.2
  • 48
    • 0005484012 scopus 로고    scopus 로고
    • note
    • -1 at B3-LYP/6-31G(d) + ZPVE.
  • 53
    • 0003450764 scopus 로고    scopus 로고
    • (Eds.: W. G. Mallard, P. J. Linstrom), National Institute of Standards and Technology, Gaithersburg, MD, November
    • 2S), 16.03 (HF) and 12.74 eV (HCl). These are taken to reflect the lone-pair energy, as suggested in ref. [33]. The IEs are obtained from E. P. Hunter, S. G. Lias, NIST Standard Database Number 69 (Eds.: W. G. Mallard, P. J. Linstrom), National Institute of Standards and Technology, Gaithersburg, MD, November 1998 (http://webbook.nist.gov).
    • (1998) NIST Standard Database Number 69
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    • 0005421155 scopus 로고    scopus 로고
    • note
    • -1, respectively.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.