2010•Unpublished venueRequires access
Method of Molecular Orbitals and Related Approaches
И. Б. Берсукер
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Abstract
This chapter contains sections titled: Basic Ideas of the MO LCAO Method Charge Distribution and Bonding in the MO LCAO Method and the Case of Weak Covalency Methods of Calculation of MO Energies and LCAO Coefficients Semiquantitative Approaches Semiempirical Methods Fragmentary Calculations, Molecular Mechanics, and Combined Quantum/Classical (QM/MM) Modeling General Comparison of Methods Summary Notes Exercises and Problems References