The energetics and structural properties of diazomethyl (HCNN) and cyanomidyl (HNCN) radicals and their related cations and anions from ab initio calculations

2005 ◽  
Vol 122 (6) ◽  
pp. 064316 ◽  
Author(s):  
Cristina Puzzarini ◽  
Alberto Gambi
Keyword(s):  
Ab Initio Calculations ◽  
Ab Initio ◽  
Structural Properties

Hydrogen induced changes in structural properties of iron: Ab initio calculations

2011 ◽  
pp. 79-84 ◽  
Author(s):  
Alejandro Castedo ◽  
Javier Sanchez ◽  
José Fullea ◽  
Carmen Andrade ◽  
Pedro Luis Andres
Keyword(s):  
Ab Initio Calculations ◽  
Ab Initio ◽  
Structural Properties ◽  
Induced Changes
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