Self‐Consistent Molecular‐Orbital Methods. IX. An Extended Gaussian‐Type Basis for Molecular‐Orbital Studies of Organic Molecules

1971 ◽  
Vol 54 (2) ◽  
pp. 724-728 ◽  
Author(s):  
R. Ditchfield ◽  
W. J. Hehre ◽  
J. A. Pople
Keyword(s):  
Molecular Orbital ◽  
Organic Molecules ◽  
Gaussian Type ◽  
Self Consistent

Self‐consistent molecular orbital methods. XVII. Geometries and binding energies of second‐row molecules. A comparison of three basis sets

1976 ◽  
Vol 64 (12) ◽  
pp. 5142-5151 ◽  
Author(s):  
John B. Collins ◽  
Paul von R. Schleyer ◽  
J. Stephen Binkley ◽  
John A. Pople
Keyword(s):  
Molecular Orbital ◽  
Binding Energies ◽  
Basis Sets ◽  
Self Consistent
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