Solids Modeled by ab Initio Crystal-Field Methods. 12. Structure, Orientation, and Position of A-Type Carbonate in a Hydroxyapatite Lattice

1997 ◽  
Vol 101 (20) ◽  
pp. 3995-3998 ◽  
Author(s):  
Anik Peeters ◽  
Erna A. P. De Maeyer ◽  
Christian Van Alsenoy ◽  
Ronald M. H. Verbeeck
Keyword(s):  
Ab Initio ◽  
Crystal Field ◽  
Field Methods ◽  
Structure Orientation

Solids modeled by ab initio crystal field methods. X. Structure of α‐glycine, β‐glycine, and γ‐glycine using a 15‐molecule cluster

1995 ◽  
Vol 103 (15) ◽  
pp. 6608-6616 ◽  
Author(s):  
Anik Peeters ◽  
C. Van Alsenoy ◽  
A. T. H. Lenstra ◽  
H. J. Geise
Keyword(s):  
Ab Initio ◽  
Crystal Field ◽  
Field Methods

Interpreting ab initio energy level calculations for the trivalent praseodymium ion using a parametrized crystal-field Hamiltonian

2020 ◽  
Vol 106 ◽  
pp. 109998
Author(s):  
Alexander J. Salkeld ◽  
Michael F. Reid ◽  
Jon-Paul R. Wells
Keyword(s):  
Energy Level ◽  
Ab Initio ◽  
Crystal Field
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