메뉴 건너뛰기




Volumn 117, Issue 12, 2002, Pages 5675-5687

Vibrational interactions of acetonitrile: Doubly vibrationally resonant IR-IR-visible four-wave-mixing spectroscopy

Author keywords

[No Author keywords available]

Indexed keywords

ACETONITRILE; CALCULATIONS; COMPUTER SIMULATION; FOUR WAVE MIXING; INFRARED SPECTROSCOPY; MOLECULAR VIBRATIONS;

EID: 0037159057     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1501129     Document Type: Article
Times cited : (52)

References (73)
  • 1
    • 0000742220 scopus 로고    scopus 로고
    • Two-dimensional vibrational spectroscopy
    • edited by S. H. Lin, A. A. Villaeys, and Y. Fujimura (World Scientific, Singapore)
    • M. Cho, "Two-dimensional vibrational spectroscopy," in Advances in Multi-photon Processes and Spectroscopy, edited by S. H. Lin, A. A. Villaeys, and Y. Fujimura (World Scientific, Singapore, 1999), Vol. 12, p. 229;
    • (1999) Advances in Multi-Photon Processes and Spectroscopy , vol.12 , pp. 229
    • Cho, M.1
  • 32
  • 65
    • 0010929198 scopus 로고    scopus 로고
    • note
    • In this paper, the authors calculated a variety of vibrational properties including first and second derivatives of CN stretching modes with the MP2 method. They also found that the MP2 method implemented in the gaussian program produces unreasonably small IR intensity for the CN stretching mode. We have privately consulted with Gaussian Inc. and notified this problem. After Gaussian Inc. carried out the same calculation with MP2/6-311 ++ G**, they also found that the MP2/6-311 ++ G** method is not suitable for estimating the IR intensity of the CN stretching mode.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.