Ab initio, Xα and IEHT Mo calculations of Mössbauer spectroscopy parameters for iron carbonyls

1986 ◽  
Vol 29 (1-4) ◽  
pp. 1303-1306 ◽  
Author(s):  
A. Sawaryn ◽  
L. P. Aldridge ◽  
R. Bläs ◽  
V. R. Marathe ◽  
A. X. Trautwein
Keyword(s):  
Mössbauer Spectroscopy ◽  
Ab Initio ◽  
Mossbauer Spectroscopy ◽  
Mo Calculations ◽  
Iron Carbonyls ◽  
Mößbauer Spectroscopy

scholarly journals Structural investigation of Na3NpO4 and Na3PuO4 using X-ray diffraction and 237Np Mössbauer spectroscopy

2015 ◽  
Vol 44 (42) ◽  
pp. 18370-18377 ◽  
Author(s):  
A. L. Smith ◽  
P. E. Raison ◽  
A. Hen ◽  
D. Bykov ◽  
E. Colineau ◽  
...  
Keyword(s):  
Mössbauer Spectroscopy ◽  
Ab Initio ◽  
Crystal Structures ◽  
Structural Investigation ◽  
Mossbauer Spectroscopy ◽  
X Ray Diffraction ◽  
X Ray ◽  
Mößbauer Spectroscopy ◽  
First Time

The crystal structures of Na3NpO4 and Na3PuO4 have been solved for the first time ab initio, and the pentavalence of the neptunium cation has been confirmed using Mössbauer spectroscopy.

Ab-initio, Mößbauer spectroscopy, and magnetic study of the approximant Al72Ni9Fe19 to a decagonal Al-Ni-Fe quasicrystal

2016 ◽  
Vol 689 ◽  
pp. 726-732 ◽  
Author(s):  
Farshad Nejadsattari ◽  
Zbigniew M. Stadnik ◽  
Janusz Przewoźnik ◽  
Benjamin Grushko
Keyword(s):  
Mössbauer Spectroscopy ◽  
Ab Initio ◽  
Mossbauer Spectroscopy ◽  
Magnetic Study ◽  
Mößbauer Spectroscopy

Hyperfine interactions in hexagonal ε-Fe6Ny phase investigated by Mössbauer spectroscopy and ab initio calculations

2006 ◽  
Vol 54 (9) ◽  
pp. 2407-2417 ◽  
Author(s):  
S. Shang ◽  
A.J. Böttger ◽  
M.P. Steenvoorden ◽  
M.W.J. Crajé
Keyword(s):  
Mössbauer Spectroscopy ◽  
Ab Initio Calculations ◽  
Ab Initio ◽  
Mossbauer Spectroscopy ◽  
Hyperfine Interactions ◽  
Mößbauer Spectroscopy

An investigation of some iron halide complexes by Mössbauer spectroscopy

1969 ◽  
Vol 47 (8) ◽  
pp. 1351-1354 ◽  
Author(s):  
T. Birchall
Keyword(s):  
Mössbauer Spectroscopy ◽  
Mossbauer Spectroscopy ◽  
Tetrahedral Configuration ◽  
Iron Carbonyls ◽  
Mößbauer Spectroscopy ◽  
Halide Complexes

The products of the reaction between iron carbonyls and various ligands have been examined by Mössbauer spectroscopy. With triphenylphosphine and triphenylarsine, complexes of Fe(III) in a tetrahedral configuration are produced. In all other cases the complexes contain Fe(II), and it is suggested that these are not monomeric, but are chlorine bridged complexes.

Magnetic anisotropy and spin fluctuations in the paramagnetic dimer : Mössbauer spectroscopy and ab initio calculations

2008 ◽  
Vol 320 (6) ◽  
pp. 898-905 ◽  
Author(s):  
L. Cianchi ◽  
F. Del Giallo ◽  
P. Moretti ◽  
G. Spina ◽  
M. Mancini ◽  
...  
Keyword(s):  
Mössbauer Spectroscopy ◽  
Magnetic Anisotropy ◽  
Ab Initio Calculations ◽  
Ab Initio ◽  
Mossbauer Spectroscopy ◽  
Spin Fluctuations ◽  
Mößbauer Spectroscopy ◽  
Paramagnetic Dimer

Mössbauer spectroscopy, magnetic, and ab initio study of the Heusler compound Fe2NiGa

2015 ◽  
Vol 477 ◽  
pp. 113-122 ◽  
Author(s):  
Farshad Nejadsattari ◽  
Zbigniew M. Stadnik ◽  
Janusz Przewoźnik ◽  
Kurt H.J. Buschow
Keyword(s):  
Mössbauer Spectroscopy ◽  
Ab Initio ◽  
Mossbauer Spectroscopy ◽  
Ab Initio Study ◽  
Heusler Compound ◽  
Mößbauer Spectroscopy

scholarly journals Ab initio calculation of optimum absorber thickness in Mössbauer spectroscopy

2016 ◽  
Vol 26 (1) ◽  
pp. 47-53
Author(s):  
A. V. Grebenyuk ◽  
◽  
S. M. Irkaev ◽  
V. V. Panchuk ◽  
V. G. Semenov ◽  
...  
Keyword(s):  
Mössbauer Spectroscopy ◽  
Ab Initio ◽  
Ab Initio Calculation ◽  
Mossbauer Spectroscopy ◽  
Absorber Thickness ◽  
Mößbauer Spectroscopy

CNDO/2-MO Calculations and Mössbauer Spectroscopy on Tris-(1,10-Phenanthroline)iron-Complexes

1984 ◽  
Vol 142 (2) ◽  
pp. 221-238 ◽  
Author(s):  
W. Linert ◽  
V. Gutmann ◽  
G. Wiesinger ◽  
P. G. Perkins
Keyword(s):  
Mössbauer Spectroscopy ◽  
Mossbauer Spectroscopy ◽  
Iron Complexes ◽  
Mo Calculations ◽  
Mößbauer Spectroscopy
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