996 resultados para Cloche, Antonio , O.P., 1628-1720-Sermons
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The appearance of ferromagnetic correlations among π electrons of phenanthrene (C14H10) molecules in the herringbone structure is proven for K doped clusters both by ab initio quantum-chemistry calculations and by the direct solution of the many-body Pariser-Parr-Pople Hamiltonian. Magnetic ground states are predicted for one or three additional electrons per phenanthrene molecule. These results are a consequence of the small overlap between the lowest unoccupied molecular orbitals (and lowest unoccupied molecular orbitals + 1) of neutral neighboring phenanthrene molecules, which makes the gain in energy by delocalization similar to the corresponding increase due to the Coulomb interaction.
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Vol. 2-3 published by José Ignacio Durán.
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"Appendice, o, Serie cronologica di ventisette scritture di Andrea Palladio in parte inedite ed ora la prima volta unite dall'abate Antonio Magrini"--P. [1]-66.
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