| Literature DB >> 11767845 |
A Pawlukojć1, J Leciejewicz, J Tomkinson, S F Parker.
Abstract
Inelastic incoherent neutron scattering spectra (IINS) were obtained for normal and deuterated L-threonine. Raman and infrared spectra were also recorded. Geometries were optimized for the zwitterion form using ab initio Hartree-Fock (HF) levels with 6-31G*, 6-311G*, 6-311G** and 6-311 + + G** basis sets. Force fields and normal modes were calculated and used as basis for an assignment of the spectral features.Entities:
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Year: 2001 PMID： 11767845 DOI： 10.1016/s1386-1425(01)00508-x
Source DB: PubMed Journal: Spectrochim Acta A Mol Biomol Spectrosc ISSN： 1386-1425 Impact factor: 4.098