Ab initio study of structure, stability and ionization potentials of the anions PF−6 and P2F−11

1990 ◽  
Vol 173 (2-3) ◽  
pp. 151-156 ◽  
Author(s):  
Christoph Kölmel ◽  
Gottfried Palm ◽  
Reinhart Ahlrichs ◽  
Michael Bär ◽  
Alexander I. Boldyrev
Keyword(s):  
Ab Initio ◽  
Ionization Potentials ◽  
Structure Stability ◽  
Ab Initio Study

Ab - initio study of alloying effects on structure stability and mechanical properties of α-Nb 5 Si 3

2015 ◽  
Vol 108 ◽  
pp. 121-127 ◽  
Author(s):  
Songxin Shi ◽  
Linggang Zhu ◽  
Lina Jia ◽  
Hu Zhang ◽  
Zhimei Sun
Keyword(s):  
Mechanical Properties ◽  
Ab Initio ◽  
Structure Stability ◽  
Ab Initio Study ◽  
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An ab initio study of the ionization potentials and f–f spectroscopy of europium atoms and ions

2002 ◽  
Vol 116 (13) ◽  
pp. 5481-5493 ◽  
Author(s):  
Conrad Naleway ◽  
Michael Seth ◽  
Ron Shepard ◽  
Albert F. Wagner ◽  
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...  
Keyword(s):  
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Ionization Potentials ◽  
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Structure, Stability, and Bonding of BC2N:  An ab Initio Study

1998 ◽  
Vol 102 (49) ◽  
pp. 10134-10141 ◽  
Author(s):  
Tapas Kar ◽  
Martin Čuma ◽  
Steve Scheiner
Keyword(s):  
Ab Initio ◽  
Structure Stability ◽  
Ab Initio Study
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