Complete Basis Set ab Initio Study of the CH Insertion Reaction with Water, Ammonia, and Hydrogen Fluoride

1998 ◽  
Vol 102 (46) ◽  
pp. 9255-9260 ◽  
Author(s):  
Branko S. Jursic
Keyword(s):  
Ab Initio ◽  
Hydrogen Fluoride ◽  
Basis Set ◽  
Insertion Reaction ◽  
Ab Initio Study ◽  
Complete Basis ◽  
Complete Basis Set ◽  
Reaction With Water

scholarly journals Density Functional Theory and Complete Basis Set Ab Initio Computational Study of Five-, Six-, Seven- and Eight-hydrogen Coordinated Carbon Cations

1999 ◽  
Vol 23 (8) ◽  
pp. 502-503
Author(s):  
Branko S. Jursic
Keyword(s):  
Density Functional Theory ◽  
Ab Initio ◽  
Density Functional ◽  
Computational Study ◽  
Basis Set ◽  
Functional Theory ◽  
Complete Basis ◽  
Complete Basis Set ◽  
High Level

High level ab initio and density functional theory studies are performed on highly protonated methane species.

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