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Volumn 7, Issue 4, 2006, Pages 894-903

Alternative low-energy mechanisms for isotopic exchange in gas-phase D 2O-H+(H2O)n reactions

Author keywords

Cluster compounds; Molecular dynamics; Protonation; Reaction mechanisms; Water chemistry

Indexed keywords

EXCITED STATES; HEAVY WATER; ISOMERIZATION; ISOMERS; ISOTOPES; KINETIC ENERGY; KINETICS; MOLECULAR DYNAMICS; MOLECULES; PROTONATION;

EID: 33645812336     PISSN: 14394235     EISSN: 14397641     Source Type: Journal    
DOI: 10.1002/cphc.200500575     Document Type: Article
Times cited : (16)

References (54)
  • 38
    • 33645826986 scopus 로고    scopus 로고
    • note
    • -1 higher than for the water shifts on the OSS2 model surface.
  • 44
    • 33645828707 scopus 로고    scopus 로고
    • note
    • The number of events recorded in the time range of 0-100 ps was found to be substantially larger than at longer times.
  • 45
    • 33645823258 scopus 로고    scopus 로고
    • note
    • The lifetime of the ring isomer was found to be roughly 0.5 ps.
  • 46
    • 33645829341 scopus 로고    scopus 로고
    • note
    • 2O, especially for larger relative kinetic energy, our choice for the initial structure in Scheme 1 represents the worst possible case for the H/D scrambling process, as will be apparent in the following.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.