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Volumn 117, Issue 14, 2002, Pages 6833-6840

Peptide conformational heterogeneity revealed from nonlinear vibrational spectroscopy and molecular-dynamics simulations

Author keywords

[No Author keywords available]

Indexed keywords

BONDING; COMPUTATIONAL METHODS; HYDROGEN; INFRARED SPECTROSCOPY; MATHEMATICAL MODELS; MOLECULAR DYNAMICS; MOLECULAR SPECTROSCOPY; MOLECULAR VIBRATIONS; ORGANIC COMPOUNDS; PROBABILITY DENSITY FUNCTION;

EID: 0037044485     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1506151     Document Type: Article
Times cited : (218)

References (50)
  • 36
    • 0011275513 scopus 로고    scopus 로고
    • National Institute of Standards and Technology Computational Chemistry Comparison and Benchmark Database Release 5b
    • National Institute of Standards and Technology Computational Chemistry Comparison and Benchmark Database Release 5b, 2001.
    • (2001)
  • 43
    • 0011275143 scopus 로고    scopus 로고
    • note
    • The Liouville-space pathways with time-ordering "pump-probe-pump" give rise to coherent coupling. Here, the first two field interactions generate a spatial grating, which scatters pump light from the third field interaction into the direction of the probe light. Hence, the coherent coupling signal varies with pump frequency and causes a small tilt of the negative v = O → 1 bleach and stimulated emission contribution, even when no inhomogeneity is present. This signal decays on a time scale given by the pump pulse duration and should not be misinterpreted as inhomogeneous broadening. However, model calculations show that this tilt is significantly smaller than that found in the data (Fig. 1) and, more importantly, that the tilt of the v = 1 → 2 excited state absorption, which is not resonant with the pump light, is not at all affected by coherent coupling.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.