scholarly journals Electronic state spectroscopy of methyl formate probed by high resolution VUV photoabsorption, He(i) photoelectron spectroscopy and ab initio calculations

2010 ◽  
Vol 12 (48) ◽  
pp. 15734 ◽  
Author(s):  
Y. Nunes ◽  
G. Martins ◽  
N. J. Mason ◽  
D. Duflot ◽  
S. V. Hoffmann ◽  
...  
Keyword(s):  
High Resolution ◽  
Ab Initio Calculations ◽  
Ab Initio ◽  
Electronic State ◽  
Photoelectron Spectroscopy ◽  
Methyl Formate

Electronic Structure of AC-Clusters and High-Resolution Xray Spectra of Actinides in Solids

2006 ◽  
Vol 986 ◽  
Author(s):  
Nicolay Alex Kulagin
Keyword(s):  
Electronic Structure ◽  
High Resolution ◽  
Ab Initio Calculations ◽  
Ab Initio ◽  
Electronic State ◽  
Rare Earths ◽  
X Ray ◽  
Unstable Nuclei ◽  
Analysis Of Results ◽  
Theoretical Results

AbstractAb initio calculations using SCF approach for and analysis of results of investigation of the electronic structure of the clusters RA+n:[L]k with rare earths or actinides were carried out for the clusters in solids and liquids. Theoretical results for the electronic structure, radial integrals and energy of X- ray lines are presented for AC ions with unoccupied 5f-shell in the clusters in oxides, chlorides and fluorides environment. Possibility of collaps of nf-shell for the separate clusters and identification of electronic state of ions with unstable nuclei, are discussed, too.

Inversion Motion and S1Equilibrium Geometry of 4-Fluoroaniline:  Molecular Beam High-Resolution Spectroscopy and ab Initio Calculations

1999 ◽  
Vol 103 (45) ◽  
pp. 8946-8951 ◽  
Author(s):  
M. Becucci ◽  
E. Castellucci ◽  
I. López-Tocón ◽  
G. Pietraperzia ◽  
P. R. Salvi ◽  
...  
Keyword(s):  
High Resolution ◽  
Ab Initio Calculations ◽  
Ab Initio ◽  
Molecular Beam ◽  
High Resolution Spectroscopy
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