Investigation of dependence of MO LCAO on properties of orbitals of combined fragments, in the example of monosubstituted derivatives of benzene
β Scribed by K. V. Konstantinavichyus; V. M. Lazauskas
- Publisher
- SP MAIK Nauka/Interperiodica
- Year
- 1991
- Tongue
- English
- Weight
- 744 KB
- Volume
- 32
- Category
- Article
- ISSN
- 0022-4766
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The use of symmetry-adapted crystalline orbitals SACOs in self- ## Ε½ . consistent-field SCF schemes for infinite periodic systems is discussed and documented with reference to many examples. The symmetry information generated during the SACOs construction is used to illustrate some particular fea
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