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The infrared spectra and structures of the valyl-glycine zwitterion isolated in a KBr matrix

Fischer, Gad; Jacob, Rebecca; Cao, Xiaolin

Description

The IR absorption spectrum of zwitterions of L-valyl-glycine isolated in a KBr matrix has been measured using a novel dissolution, spray and deposition technique. The number of conformers, their molecular structures and their vibrational spectra have been determined by ab initio molecular orbital calculations of the non-aqueous self-consistent reaction field type, using the Onsager dipole-sphere model at both the density functional theory and Hartree-Fock levels. Six conformers were determined....[Show more]

CollectionsANU Research Publications
Date published: 2001
Type: Journal article
URI: http://hdl.handle.net/1885/93330
Source: Chemical Physics
DOI: 10.1016/S0301-0104(00)00364-5

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