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Volumn 136, Issue 42, 2014, Pages 14801-14810

Femtosecond stimulated Raman spectroscopy of the cyclobutane thymine dimer repair mechanism: A computational study

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTATIONAL STUDIES; CYCLOBUTANE-THYMINE DIMERS; FEMTOSECOND STIMULATED RAMAN SPECTROSCOPIES; REPAIR MECHANISM;

EID: 84908431074     PISSN: 00027863     EISSN: 15205126     Source Type: Journal    
DOI: 10.1021/ja5063955     Document Type: Article
Times cited : (36)

References (66)
  • 2
    • 0038305458 scopus 로고    scopus 로고
    • Sancar, A. Chem. Rev. 2003 , 103, 2203-2237.
    • (2003) Chem. Rev. , vol.103 , pp. 2203-2237
    • Sancar, A.1
  • 4
    • 80054758750 scopus 로고    scopus 로고
    • Yang, W. Protein Sci. 2011 , 20, 1781-1789.
    • (2011) Protein Sci. , vol.20 , pp. 1781-1789
    • Yang, W.1
  • 34
    • 84908437227 scopus 로고    scopus 로고
    • note
    • •-, there is no unique open form due to the lack of DNA backbone. The end-point geometry of an IRC calculation is thus regarded as the open form.
  • 36
    • 84908437226 scopus 로고    scopus 로고
    • note
    • A displacement between two molecular structures was evaluated by positioning them in the same xyz frame so as not to generate any linear or angular momentum. This method was, for example, employed to evaluate a distance between an optimized geometry and an endpoint geometry of IRC calculation, which is useful to connect several IRCs.
  • 48
    • 78651325180 scopus 로고    scopus 로고
    • Swiss National Supercomputing Centre: Lugano, Switzerland
    • Varetto, U. Molekel 5.4; Swiss National Supercomputing Centre: Lugano, Switzerland, 2009.
    • (2009) Molekel 5.4
    • Varetto, U.1
  • 53
    • 84908437225 scopus 로고    scopus 로고
    • Reference 55 explicitly treats a Raman pump pulse of finite duration
    • Reference 55 explicitly treats a Raman pump pulse of finite duration.
  • 66
    • 84908437224 scopus 로고    scopus 로고
    • note
    • •- are less than 1 kcal/mol (Table 1), which are comparable to the thermal energy. This indicates that in reality, kinetics would not be determined by Markovian transitions, but rather stochastic dynamics with some degree of long-term non-Markovian memory is to be expected. It is, however, likely that this does not affect the main conclusion discussed below: at early delay times, dispersive line shapes are observed, while at longer delay times, static averaged signals only with absorptive line shapes are obtained, as already revealed by the stochastic Liouville equation (Figure 8a).


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.