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“... em solução. A estrutura molecular dos complexos foi calculada com o funcional DFT híbrido PBE0, utilizando...”
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Master thesis
8
“... baseados na Teoria do Funcional de Densidade (DFT), com o fim de se determinar quais os melhores funcionais...”
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Doctoral thesis
9
“.... Para a avaliação das propriedades dos clusters e nanoligas foram realizados cálculos DFT em dois níveis: um cálculo...”
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Doctoral thesis
10
“... calculations based on Density Functional Theory (DFT) allowed the estimation of the thermal expansion...”
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Doctoral thesis
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“... cis-stilbene as the minor product of the reaction. On the other hand, these complexes have not shown...”
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Master thesis
13