Factors influencing the rates of reaction at arylmethyl carbon atoms. An evaluation of the importance of steric effects within the SCF-LCAO (self consistent field-linear combination of atomic orbitals) approach

1968 ◽  
Vol 90 (13) ◽  
pp. 3397-3401 ◽  
Author(s):  
Gerald Jay. Gleicher
Keyword(s):  
Linear Combination ◽  
Steric Effects ◽  
Atomic Orbitals ◽  
Factors Influencing ◽  
Consistent Field ◽  
Self Consistent ◽  
Self Consistent Field

Basis set convergence of atomic axial tensors obtained from self‐consistent field calculations using London atomic orbitals

1994 ◽  
Vol 100 (9) ◽  
pp. 6620-6627 ◽  
Author(s):  
Keld L. Bak ◽  
Poul Jo/rgensen ◽  
Trygve Helgaker ◽  
Kenneth Ruud ◽  
Hans Jo/rgen Aa. Jensen
Keyword(s):  
Basis Set ◽  
Set Convergence ◽  
Atomic Orbitals ◽  
Consistent Field ◽  
Self Consistent ◽  
Self Consistent Field

Multiconfigurational self‐consistent field calculations of nuclear shieldings using London atomic orbitals

1994 ◽  
Vol 100 (11) ◽  
pp. 8178-8185 ◽  
Author(s):  
Kenneth Ruud ◽  
Trygve Helgaker ◽  
Rika Kobayashi ◽  
Poul Jo/rgensen ◽  
Keld L. Bak ◽  
...  
Keyword(s):  
Atomic Orbitals ◽  
Consistent Field ◽  
Self Consistent ◽  
Self Consistent Field
Sign in / Sign up

Export Citation Format

Share Document