Ab initio and density functional study of structure and bonding of cage compounds containing boron, phosphorus and group 14 atomsElectronic supplementary information (ESI) available: optimized bond lengths and angles. See http://www.rsc.org/suppdata/nj/b3/b301191g/

2003 ◽  
Vol 27 (8) ◽  
pp. 1240 ◽  
Author(s):  
Sofia Pachini ◽  
Michael P. Sigalas
Keyword(s):  
Ab Initio ◽  
Density Functional ◽  
Supplementary Information ◽  
Functional Study ◽  
Group 14 ◽  
Cage Compounds ◽  
Density Functional Study ◽  
Bond Lengths ◽  
Structure And Bonding

Ab-initio density functional study of defect-free and defective CdO

2005 ◽  
Vol 2 (10) ◽  
pp. 3548-3551 ◽  
Author(s):  
R. Ferro ◽  
J. A. Rodríguez ◽  
M. Verstraete ◽  
V. Solomko ◽  
P. Bertrand
Keyword(s):  
Ab Initio ◽  
Density Functional ◽  
Functional Study ◽  
Density Functional Study
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