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Volumn 106, Issue 11, 1997, Pages 4389-4400

Far-infrared absorption spectra of water, ammonia, and chloroform calculated from instantaneous normal mode theory

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EID: 0001418512     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.473486     Document Type: Article
Times cited : (82)

References (39)
  • 11
    • 0000081360 scopus 로고
    • D. M. F. Edwards, P. A. Madden, and I. R. McDonald, Mol. Phys. 51, 1141 (1984); D. M. F. Edwards and P. A. Madden, ibid. 51, 1163 (1984).
    • (1984) Mol. Phys. , vol.51 , pp. 1163
    • Edwards, D.M.F.1    Madden, P.A.2
  • 24
    • 36749117884 scopus 로고
    • This reference describes the TIPS2 potential
    • W. L. Jorgensen, J. Chem. Phys. 77, 4156 (1982). This reference describes the TIPS2 potential.
    • (1982) J. Chem. Phys. , vol.77 , pp. 4156
    • Jorgensen, W.L.1
  • 35
    • 4143111625 scopus 로고    scopus 로고
    • note
    • The water simulation in this work used the same TIPS2 potential as was used in Ref. 18, but with half as many molecules, at 303 K rather than 298 K, and with reaction field rather than periodic lattice (Ewald sum) conditions. Furthermore, a 6 Å diam uncharged spherical solute was included in the other work.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.