Linked Life Data

18533699

Source:http://linkedlifedata.com/resource/pubmed/id/18533699

Statements in which the resource exists as a subject.
PredicateObject
rdf:type
lifeskim:mentions
pubmed:issue
26
pubmed:dateCreated
2008-6-30
pubmed:abstractText
Using an ab initio strategy accounting for the basis set superposition error and electron-correlation effects, we have investigated the stepwise hydration of the proline cation. Structures with 0-3 surrounding water molecules have been obtained, and major differences with respect to protonated glycine are highlighted. Several structures with similar energies actually coexist at each step, and we give indications that should help removing experimental doubts. The theoretical enthalpies and entropies meet the experimental observations, though the computed entropic changes when adding the third water molecule are overestimated.
pubmed:language
eng
pubmed:journal
pubmed:citationSubset
IM
pubmed:chemical
pubmed:status
MEDLINE
pubmed:month
Jul
pubmed:issn
1520-6106
pubmed:author
pubmed:issnType
Print
pubmed:day
3
pubmed:volume
112
pubmed:owner
NLM
pubmed:authorsComplete
Y
pubmed:pagination
7702-5
pubmed:meshHeading
pubmed:year
2008
pubmed:articleTitle
Stepwise hydration of protonated proline.
pubmed:affiliation
Laboratoire de Chimie Biologique Structurale, Département de Chimie, Facultés Universitaires Notre-Dame de la Paix, Namur, Belgium.
pubmed:publicationType
Journal Article, Research Support, Non-U.S. Gov't