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Volumn 3, Issue 1, 1997, Pages 19-26

Intermediate complexes in the gas-phase reaction of the tert-C4H9+ cation with water

Author keywords

Ab initio and semi empirical calculations; Energy profiles; H exchange; Ion neutral complex; Protonated tert butanol

Indexed keywords


EID: 0001884616     PISSN: 14690667     EISSN: None     Source Type: Journal    
DOI: 10.1255/ejms.38     Document Type: Article
Times cited : (7)

References (49)
  • 34
    • 2742533091 scopus 로고
    • Ed by B. Pullman. John Wiley & Sons, New York, Chapter 2
    • (a) P. Claverie, Intermolecular Interactions, Ed by B. Pullman. John Wiley & Sons, New York, Chapter 2 (1978);
    • (1978) Intermolecular Interactions
    • Claverie, P.1
  • 36
    • 2742587911 scopus 로고    scopus 로고
    • References cited in Reference 11
    • (c) References cited in Reference 11.
  • 37
    • 2742593393 scopus 로고    scopus 로고
    • The partner subunits were optimized using the MP2/6-31G* calculation in which core electrons are frozen.
    • The partner subunits were optimized using the MP2/6-31G* calculation in which core electrons are frozen.
  • 48
    • 85085783024 scopus 로고    scopus 로고
    • note
    • 3 calculated semi-empirically, with a small energy barrier.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.