A COMPLEMENTARY VIEW TO THE BONDING PATTERN IN THE N5+ CATION: AN ELECTRON LOCALIZATION FUNCTION AND LOCAL TEMPERATURE ANALYSIS
The electron localization function (ELF), a local measure of the Pauli repulsion effect, and the local Kohn-Sham temperature analysis, which is defined within the framework of a local thermodynamics description of density functional theory, have been used to explore the bonding characteristics in th...
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| Lenguaje: | English |
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Sociedad Chilena de Química
2003
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| Acceso en línea: | http://www.scielo.cl/scielo.php?script=sci_arttext&pid=S0717-97072003000400010 |
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