Density functional theory study on vibrational circular dichroism as a tool for analysis of intermolecular systems: (1:1) cysteine-water complex conformations

Authors :: Sadlej, Joanna
Dobrowolski, Jan Cz.
Rode, Joanna E.
Jamroz, Michal H.
Source :: Journal of Physical Chemistry A. Oct 25, 2007, Vol. 111 Issue 42, p10703, 9 p.
Publication Year :: 2007
Abstract: The calculations of vibrational circular dichroism (VCD) spectra are used for the analysis of conformers of various intermolecular systems, including (1:1) cysteine-water complexes. The VCD spectra are found to be highly sensitive to the water arrangement in such cysteine complexes.

Subjects :: Density functionals -- Analysis
Cysteine -- Chemical properties
Circular dichroism -- Analysis
Chemicals, plastics and rubber industries

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