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Vibrational circular dichroism spectroscopy

Molecular dynamics (MD) simulations fill a significant niche in the study of chemical structure. While nuclear magnetic resonance (NMR) yields the structure of a molecule in atomic detail, this structure is the time-averaged composite of several conformations. Electronic and vibrational circular dichroism spectroscopy and more general ultraviolet/visible and infrared (IR) spectroscopy yield the secondary structure of the molecule, but at low resolution. MD simulations, on the other hand, yield a large set of individual structures in high detail and can describe the dynamic properties of these structures in solution. Movement and energy details of individual atoms can then be easily obtained from these studies. [Pg.115]

Vibrational Circular Dichroism Spectroscopy of Chiral Molecules... [Pg.189]

Stephens PJ, Devlin FJ (2000) Determination of the structure of chiral molecules using ab initio vibrational circular dichroism spectroscopy. Chirality 12 172-179... [Pg.228]

Stephens PJ, Devlin FJ, Aamouche A (2002) Determination of the structures of chiral molecules using vibrational circular dichroism spectroscopy. In Hicks JM (ed) Chirality physical chemistry. ACS Symposium Series, vol. 810, Chap. 2, Oxford University Press, New York, pp 18-33... [Pg.228]

Yang GC, Ha T, Fan E et al (2010) Determination of the absolute configurations of synthetic daunorubicin analogues using vibrational circular dichroism spectroscopy and density functional theory. Chirality 22 734—743... [Pg.228]

Nafie LA, Long F, Freedman TB et al (1998) The determination of enantiomeric purity and absolute configuration by vibrational circular dichroism spectroscopy. In de Haseth JA (ed) Fourier transform spectroscopy 11th International Conference, vol. 430, American Institute of Physics. Woodbury, New York, pp 432-434... [Pg.229]

Merten C, Kowalik T, Hartwig A (2008) Vibrational circular dichroism spectroscopy of solid polymer films effects of sample orientation. Appl Spectrosc 62 901-905... [Pg.230]

Keiderling, T.A., Silva, R.A., Yoder, G., and Dukor, R.K. Vibrational circular dichroism spectroscopy of selected oligopeptide conformations, Bioorg. Med. Chem., 7,133, 1999. [Pg.398]

Vibrational Circular Dichroism Spectroscopy A New Tool for the Stereochemical Characterization of Chiral Molecules... [Pg.699]

See other pages where Vibrational circular dichroism spectroscopy is mentioned: [Pg.239]    [Pg.783]    [Pg.264]    [Pg.203]    [Pg.204]    [Pg.204]    [Pg.205]    [Pg.43]    [Pg.160]    [Pg.701]    [Pg.703]    [Pg.705]    [Pg.707]    [Pg.709]    [Pg.711]    [Pg.713]   
See also in sourсe #XX -- [ Pg.239 ]

See also in sourсe #XX -- [ Pg.30 ]



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