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Volumn 73, Issue 23, 2008, Pages 9283-9291

Gas-phase thermochemical properties of pyrimidine nucleobases

Author keywords

[No Author keywords available]

Indexed keywords

ACIDITY; CHEMICAL PROPERTIES; CHEMICAL REACTIVITY; GAS DYNAMICS; GASES; NITROGEN COMPOUNDS; OLIGOMERS; PROTONS;

EID: 57449087232     PISSN: 00223263     EISSN: None     Source Type: Journal    
DOI: 10.1021/jo801822s     Document Type: Article
Times cited : (60)

References (77)
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    • NIST Chemistry WebBook
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    • (2003) J. Phys. Chem. A , vol.107 , pp. 4893-4897
    • Huang, Y.1    Kenttamaa, H.2
  • 42
    • 84925561733 scopus 로고    scopus 로고
    • If more than one value is listed for an atom, the arrows show the site of protonation (for example, the O2 of cytosine can be protonated on the N1 side and on the N3 side).
    • If more than one value is listed for an atom, the arrows show the site of protonation (for example, the O2 of cytosine can be protonated on the N1 side and on the N3 side).
  • 44
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    • -1 (ref 23).
    • -1 (ref 23).
  • 47
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    • We calculated the ΔΔS values for the cytosine acidity and the PA for the extended Cooks kinetic method experiments, using the Armentrout method (ref 48, For the acidity, the ΔΔS value is 3.2 cal K-1 mol-1; for the PA, the value is 2.2 cal K-1 mol-1. It has been noted that the ΔΔ S value is related to the accuracy of the PA value obtained by the extended Cooks kinetic method ref 51, Ideally, the actual ΔΔ S value should be less than or equal to about 5 cal K-1 mol-1; otherwise, the extended kinetic method may underestimate the PA. Another caveat is that the ΔΔS value obtained from the extended method is often itself underestimated. There is, therefore, a possibility that the values obtained via our extended Cooks kinetic method experiment are underestimated; however, given that they are in agreement with the bracketing result
    • -1; otherwise, the extended kinetic method may underestimate the PA. Another caveat is that the ΔΔS value obtained from the extended method is often itself underestimated. There is, therefore, a possibility that the values obtained via our extended Cooks kinetic method experiment are underestimated; however, given that they are in agreement with the bracketing results, we are inclined to believe that the extended kinetic method value is not too low.
  • 53
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    • -1 (ref 23).
    • -1 (ref 23).
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    • and references therein
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    • and references therein
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    • Gaussian, Inc, Wallingford, CT
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  • 77
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    • 298, of the proton (experimental value = 26 eu, ref 23).
    • 298, of the proton (experimental value = 26 eu, ref 23).


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.