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rdf:type |
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lifeskim:mentions |
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pubmed:issue |
12
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pubmed:dateCreated |
2001-12-20
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pubmed:abstractText |
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.
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pubmed:language |
eng
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pubmed:journal |
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pubmed:citationSubset |
IM
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pubmed:chemical |
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pubmed:status |
MEDLINE
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pubmed:month |
Oct
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pubmed:issn |
1386-1425
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pubmed:author |
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pubmed:issnType |
Print
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pubmed:volume |
57
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pubmed:owner |
NLM
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pubmed:authorsComplete |
Y
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pubmed:pagination |
2513-23
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pubmed:meshHeading |
pubmed-meshheading:11767845-Crystallization,
pubmed-meshheading:11767845-Deuterium,
pubmed-meshheading:11767845-Energy Transfer,
pubmed-meshheading:11767845-Hydrogen Bonding,
pubmed-meshheading:11767845-Models, Chemical,
pubmed-meshheading:11767845-Molecular Conformation,
pubmed-meshheading:11767845-Molecular Structure,
pubmed-meshheading:11767845-Neutrons,
pubmed-meshheading:11767845-Spectrophotometry, Infrared,
pubmed-meshheading:11767845-Spectrum Analysis, Raman,
pubmed-meshheading:11767845-Threonine,
pubmed-meshheading:11767845-Vibration
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pubmed:year |
2001
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pubmed:articleTitle |
Neutron scattering, infra red, Raman spectroscopy and ab initio study of L-threonine.
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pubmed:affiliation |
Frank Neutron Physics Laboratory, Joint Institute of Nuclear Research, Duhna, Russia. andrzej@nf.jinr.ru
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pubmed:publicationType |
Journal Article
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