Molecular orbital theory of the electronic structure of organic compounds. III. Ab initio studies of charge distribution using a minimal Slater-type basis

1970 ◽  
Vol 92 (8) ◽  
pp. 2191-2197 ◽  
Author(s):  
Warren J. Hehre ◽  
John A. Pople
Keyword(s):  
Electronic Structure ◽  
Ab Initio ◽  
Charge Distribution ◽  
Organic Compounds ◽  
Molecular Orbital ◽  
Molecular Orbital Theory ◽  
Slater Type ◽  
Orbital Theory

Molecular orbital theory of the electronic structure of organic compounds. XI. Geometries and energies of C3H7+cations

1972 ◽  
Vol 94 (2) ◽  
pp. 311-321 ◽  
Author(s):  
L. Radom ◽  
J. A. Pople ◽  
V. Buss ◽  
P. v. R. Schleyer
Keyword(s):  
Electronic Structure ◽  
Organic Compounds ◽  
Molecular Orbital ◽  
Molecular Orbital Theory ◽  
Orbital Theory

Molecular orbital theory of the electronic structure of organic compounds. 28. Geometries and energies of singlet and triplet states of the C3H2 hydrocarbons

1976 ◽  
Vol 98 (15) ◽  
pp. 4378-4383 ◽  
Author(s):  
W. J. Hehre ◽  
J. A. Pople ◽  
W. A. Lathan ◽  
L. Radom ◽  
E. Wasserman ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Organic Compounds ◽  
Molecular Orbital ◽  
Triplet States ◽  
Molecular Orbital Theory ◽  
Orbital Theory ◽  
Singlet And Triplet States
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