Calibration and comparison of the Gaussian-2, complete basis set, and density functional methods for computational thermochemistry

1998 ◽  
Vol 109 (24) ◽  
pp. 10570-10579 ◽  
Author(s):  
G. A. Petersson ◽  
David K. Malick ◽  
William G. Wilson ◽  
Joseph W. Ochterski ◽  
J. A. Montgomery ◽  
...  
Keyword(s):  
Density Functional ◽  
Basis Set ◽  
Density Functional Methods ◽  
Functional Methods ◽  
Complete Basis ◽  
Complete Basis Set

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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