TY - JOUR
T1 - Density functional study on the structure and stability of positive iron rare-gas complexes, Fe+Xn (X = Ar, Xe; n = 1-6)
AU - Vaval, Nayana
AU - Bililign, Solomon
AU - Gdanitz, Robert J.
PY - 2003/5/15
Y1 - 2003/5/15
N2 - The structures and atomization energies of positively charged complexes of iron with argon and xenon, Fe+Xn (X = Ar, Xe; n = 1-6) are investigated by density functional theory calculations. We explain the special stability of some of these complexes ("magic numbers") - that has been observed in previous laser ablation and multi-photon ionization experiments - and predict their geometries. © 2003 Elsevier Science B.V. All rights reserved.
AB - The structures and atomization energies of positively charged complexes of iron with argon and xenon, Fe+Xn (X = Ar, Xe; n = 1-6) are investigated by density functional theory calculations. We explain the special stability of some of these complexes ("magic numbers") - that has been observed in previous laser ablation and multi-photon ionization experiments - and predict their geometries. © 2003 Elsevier Science B.V. All rights reserved.
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U2 - 10.1016/S0301-0104(03)00125-3
DO - 10.1016/S0301-0104(03)00125-3
M3 - Article
SN - 0301-0104
VL - 290
SP - 171
EP - 176
JO - Chemical Physics
JF - Chemical Physics
IS - 2-3
ER -