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Hartree-Fock self-consistent-field chemical shifts

Basis Sets Correlation Consistent Sets Complete Active Space Self-consistent Field (CASSCF) Second-order Perturbation Theory (CASPT2) Configuration Interaction Coupled-cluster Theory Density Functional Theory (DFT), Hartree-Fock (HF), and the Self-consistent Field G2 Theory Geometry Optimization 1 Gradient Theory Inter-molecular Interactions by Perturbation Theory Molecular Magnetic Properties NMR Chemical Shift Computation Ab Initio NMR Chemical Shift Computation Structural Applications Self-consistent Reaction Field Methods Spin Contamination. [Pg.1734]

Density Functional Applications Density Functional Theory (DFT), Hartree-Fock (HF), and the Self-consistent Field NMR Chemical Shift Computation Ab Initio NMR Data Correlation with Chemical Structure NMR of Transition Metal Compounds. [Pg.1844]


See other pages where Hartree-Fock self-consistent-field chemical shifts is mentioned: [Pg.144]    [Pg.123]    [Pg.215]    [Pg.128]    [Pg.27]    [Pg.40]    [Pg.257]    [Pg.677]    [Pg.1844]    [Pg.1858]    [Pg.1859]    [Pg.2111]    [Pg.98]    [Pg.98]   


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