Linked Life Data

17508768

Source:http://linkedlifedata.com/resource/pubmed/id/17508768

Statements in which the resource exists as a subject.
PredicateObject
rdf:type
lifeskim:mentions
pubmed:issue
6
pubmed:dateCreated
2007-6-13
pubmed:abstractText
We examine the electronic properties of the hydrated C60 fullerene under ambient conditions using a sequential Monte Carlo/density functional theory scheme. In this procedure, the average electronic properties of the first hydration shell of C60 equilibrate for ca. 40 uncorrelated configurations of the fullerene aqueous solution. We obtain a systematic red-shift of 0.8 eV in the band gap of the hydrated system, which is mainly attributed to the thermal fluctuations of the aqueous environment.
pubmed:language
eng
pubmed:journal
pubmed:citationSubset
IM
pubmed:chemical
pubmed:status
MEDLINE
pubmed:month
Jun
pubmed:issn
1530-6984
pubmed:author
pubmed:issnType
Print
pubmed:volume
7
pubmed:owner
NLM
pubmed:authorsComplete
Y
pubmed:pagination
1526-31
pubmed:meshHeading
pubmed:year
2007
pubmed:articleTitle
Band gap and density of states of the hydrated C60 fullerene system at finite temperature.
pubmed:affiliation
Instituto de Física, Universidade Federal da Bahia, 40210-340 Salvador, Bahia, Brazil. rivelino@ufba.br
pubmed:publicationType
Journal Article, Research Support, Non-U.S. Gov't