Linked Life Data

21568504

Source:http://linkedlifedata.com/resource/pubmed/id/21568504

Statements in which the resource exists as a subject.
PredicateObject
rdf:type
lifeskim:mentions
pubmed:issue
18
pubmed:dateCreated
2011-5-16
pubmed:abstractText
We have performed extensive density functional theory (DFT) calculations, partial cross sections, dipole prepared continuum orbitals, dipole amplitudes and phase shifts, asymmetry parameters ?, and molecular frame photoelectron angular distributions, to elucidate the O1s photoionization dynamics of NO(2) molecule with emphasis on the shape resonances in the O1s ionization continuum. In the shape resonance region, the ? parameters and photoelectron angular distributions have been compared with our experimental results. Fairly good agreement between the theory and experiment has confirmed that the DFT level calculations can well describe the photoionization dynamics of the simple molecule such as NO(2). Interference due to equivalent atom photoionization is theoretically considered, and the possibility of detection of the effect in the two degenerate channels with different combinations of light polarization and photoemission direction is discussed.
pubmed:language
eng
pubmed:journal
pubmed:status
PubMed-not-MEDLINE
pubmed:month
May
pubmed:issn
1089-7690
pubmed:author
pubmed:issnType
Electronic
pubmed:day
14
pubmed:volume
134
pubmed:owner
NLM
pubmed:authorsComplete
Y
pubmed:pagination
184305
pubmed:year
2011
pubmed:articleTitle
O1s photoionization dynamics in oriented NO2.
pubmed:affiliation
Dipartimento di Scienze Chimiche, Universita? di Trieste, Trieste, Italy. stener@univ.trieste.it
pubmed:publicationType
Journal Article