메뉴 건너뛰기




Volumn 5, Issue , 2002, Pages 142-150

Calculation of anharmonic vibrational spectroscopy of small biological molecules

Author keywords

[No Author keywords available]

Indexed keywords

GLYCINE; N METHYLACETAMIDE; WATER;

EID: 0037813048     PISSN: 14602733     EISSN: None     Source Type: Journal    
DOI: 10.1039/b208000a     Document Type: Review
Times cited : (58)

References (62)
  • 11
    • 0001313676 scopus 로고
    • N. G. Mirkin and S. Krimm, J. Am. Chem. Soc., 1991, 113, 9742. black star sign This is an example of state of the art work, in which spectroscopy in the harmonic approximation is computed from ab initio codes.
    • (1991) J. Am. Chem. Soc. , vol.113 , pp. 9742
    • Mirkin, N.G.1    Krimm, S.2
  • 12
    • 84861201282 scopus 로고
    • A. G. Csaszar, J. Mol. Struct., 1995, 346, 141. black star sign This is also an example of state of the art work in which spectroscopy in the harmonic approximation is computed from ab initio codes.
    • (1995) J. Mol. Struct. , vol.346 , pp. 141
    • Csaszar, A.G.1
  • 15
    • 0002605313 scopus 로고    scopus 로고
    • ed. P. Jensen and P. R. Bunker, John Wiley, New York
    • R. B. Gerber and J. O. Jung, in Computational Molecular Spectroscopy, ed. P. Jensen and P. R. Bunker, John Wiley, New York, 2000, pp. 365-390. black star sign A review of the VSCF method, including CC-VSCF.
    • (2000) Computational Molecular Spectroscopy , pp. 365-390
    • Gerber, R.B.1    Jung, J.O.2
  • 16
    • 0001267761 scopus 로고    scopus 로고
    • G. M. Chaban, J. O. Jung and R. B. Gerber, J. Chem. Phys., 1999, 111, 1823 . black star sign black star sign The paper on ab initio VSCF calculations. Probably the most important paper for the purpose of this perspective.
    • (1999) J. Chem. Phys. , vol.111 , pp. 1823
    • Chaban, G.M.1    Jung, J.O.2    Gerber, R.B.3
  • 39
    • 0035878766 scopus 로고    scopus 로고
    • G. M. Chaban and R. B. Gerber, J. Chem. Phys., 2001, 115, 1340. black star sign Applications to glycine, glycine-water and N-methylacetamide.
    • (2001) J. Chem. Phys. , vol.115 , pp. 1340
    • Chaban, G.M.1    Gerber, R.B.2
  • 58
    • 0003684989 scopus 로고    scopus 로고
    • Addison Wesley Longman, Essex, ch. 3
    • A. R. Leach, Molecular Modelling, Addison Wesley Longman, Essex, 1996, ch. 3.
    • (1996) Molecular Modelling
    • Leach, A.R.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.