Grid Enabled High Level ab initio Electronic Structure Calculations for the N2+N2 Exchange Reaction

2012 ◽  
pp. 371-386 ◽  
Author(s):  
Marco Verdicchio ◽  
Leonardo Pacifici ◽  
Antonio Laganà
Keyword(s):  
Electronic Structure ◽  
Ab Initio ◽  
Exchange Reaction ◽  
Electronic Structure Calculations ◽  
High Level ◽  
Structure Calculations ◽  
Ab Initio Electronic Structure

Ab initio electronic structure calculations and optical properties of ordered and disordered Ni3Al

2011 ◽  
Vol 509 (17) ◽  
pp. 5230-5237 ◽  
Author(s):  
Altaf Hussain ◽  
Sitaram Aryal ◽  
Paul Rulis ◽  
M. Arshad Choudhry ◽  
Jun Chen ◽  
...  
Keyword(s):  
Optical Properties ◽  
Electronic Structure ◽  
Ab Initio ◽  
Electronic Structure Calculations ◽  
Structure Calculations ◽  
Ab Initio Electronic Structure
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