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Study of the effect of metal ions on hydroxyl–containing molecules.
- Published in:
- International Journal of Quantum Chemistry, 2007, v. 107, n. 14, p. 2730, doi. 10.1002/qua.21468
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- Article
Counterpoise corrected calculations at the correlated level: A simplified method using LMOs.
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- Journal of Computational Chemistry, 1991, v. 12, n. 8, p. 953, doi. 10.1002/jcc.540120808
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- Article
Ab initio program for treatment of related molecules. II. Integral transformation in extended systems.
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- Journal of Computational Chemistry, 1987, v. 8, n. 8, p. 1179, doi. 10.1002/jcc.540080815
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- Article
An Efficient Method for using Molecular Symmetry. In Advance Selection of Zero Integrals.
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- Journal of Computational Chemistry, 1986, v. 7, n. 4, p. 494, doi. 10.1002/jcc.540070412
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- Article
Theory of lone pairs. IV. Molecular ion hole states of ten-electron hydrides. Molecular ionization potentials and proton affinities by direct SCF calculations.
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- Journal of Computational Chemistry, 1982, v. 3, n. 1, p. 14, doi. 10.1002/jcc.540030104
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- Article
Theory of lone pairs. II. A moment analysis of localized molecular orbitals in ten-electron hydrides.
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- International Journal of Quantum Chemistry, 1977, v. 11, n. 4, p. 665, doi. 10.1002/qua.560110410
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- Article
Calculation of the interaction energy in a localized representation for a trimer (Ne<sub>3</sub>) system.
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- Journal of Computational Chemistry, 1993, v. 14, n. 10, p. 1136, doi. 10.1002/jcc.540141003
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- Article
Application of the localized representation for studying interaction energies.
- Published in:
- International Journal of Quantum Chemistry, 1996, v. 57, n. 4, p. 775, doi. 10.1002/(SICI)1097-461X(1996)57:4<775::AID-QUA25>3.0.CO;2-Y
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- Article
Investigation of the correlation energy component of the intermolecular interaction energy.
- Published in:
- International Journal of Quantum Chemistry, 1993, v. 48, n. S27, p. 43, doi. 10.1002/qua.560480808
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- Article
Localized orbitals for the description of molecular interaction.
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- International Journal of Quantum Chemistry, 1990, v. 38, n. 5, p. 665, doi. 10.1002/qua.560380508
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- Article