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Efficient algorithm for the spin-free valence bond theory. I. New strategy and primary expressions.
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- International Journal of Quantum Chemistry, 1998, v. 67, n. 5, p. 287, doi. 10.1002/(SICI)1097-461X(1998)67:5<287::AID-QUA2>3.0.CO;2-R
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Ab initio assessment of the electronic structure of 5α-reduced progestins.
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- International Journal of Quantum Chemistry, 1998, v. 67, n. 5, p. 329, doi. 10.1002/(SICI)1097-461X(1998)67:5<329::AID-QUA6>3.0.CO;2-X
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Quantum dynamics with Lanczos subspace propagation: Application to a laser-driven molecular system.
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- International Journal of Quantum Chemistry, 1998, v. 67, n. 5, p. 273, doi. 10.1002/(SICI)1097-461X(1998)67:5<273::AID-QUA1>3.0.CO;2-S
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Geometrically active atomic states and the formation of molecules in their normal shapes.
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- International Journal of Quantum Chemistry, 1998, v. 67, n. 5, p. 321, doi. 10.1002/(SICI)1097-461X(1998)67:5<321::AID-QUA5>3.0.CO;2-X
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On the use of symmetry-adapted crystalline orbitals in SCF-LCAO periodic calculations. II. Implementation of the self-consistent-field scheme and examples.
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- International Journal of Quantum Chemistry, 1998, v. 67, n. 5, p. 311, doi. 10.1002/(SICI)1097-461X(1998)67:5<311::AID-QUA4>3.0.CO;2-Y
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Erratum: Conformational analysis of polypeptide chains with the aid of density of states calculations.
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- International Journal of Quantum Chemistry, 1998, v. 67, n. 5, p. 341, doi. 10.1002/(SICI)1097-461X(1998)67:5<341::AID-QUA8>3.0.CO;2-V
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On the use of symmetry-adapted crystalline orbitals in SCF-LCAO periodic calculations. I. The construction of the symmetrized orbitals.
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- International Journal of Quantum Chemistry, 1998, v. 67, n. 5, p. 299, doi. 10.1002/(SICI)1097-461X(1998)67:5<299::AID-QUA3>3.0.CO;2-Q
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Dynamics of molecules and chemical reactions.
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- International Journal of Quantum Chemistry, 1998, v. 67, n. 5, p. 339, doi. 10.1002/(SICI)1097-461X(1998)67:5<339::AID-QUA7>3.0.CO;2-W
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