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Tests of perturbative DFT total energy estimates implemented in a Gaussian basisThis article was presented at the 43rd Annual Sanibel Symposium, February 22–March 1, 2003.The delay in publication of this manuscript is not the fault of the authors.
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- International Journal of Quantum Chemistry, 2004, v. 100, n. 3, p. 245, doi. 10.1002/qua.20261
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Separability between valence and conduction bands in transition metal clusters.
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- International Journal of Quantum Chemistry, 2004, v. 100, n. 3, p. 277, doi. 10.1002/qua.20192
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- Article
Analysis of electron correlation in M2Te (M=Cu, Ag, Au) systems.
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- International Journal of Quantum Chemistry, 2004, v. 100, n. 3, p. 293, doi. 10.1002/qua.20178
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Structures and properties of (H2GaN3)n (n = 1–4) clusters: A DFT study.
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- International Journal of Quantum Chemistry, 2004, v. 100, n. 3, p. 301, doi. 10.1002/qua.20175
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Quantum analogue of the Kolmogorov–Arnold–Moser transition in different quantum anharmonic oscillators.
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- International Journal of Quantum Chemistry, 2004, v. 100, n. 3, p. 254, doi. 10.1002/qua.20161
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Quantum study on the electrocyclic reactions of CH2CHCHCHX (X=H, F, Cl).
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- International Journal of Quantum Chemistry, 2004, v. 100, n. 3, p. 288, doi. 10.1002/qua.20159
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- Article