AN EMPIRICAL WAY TO CORRECT SOME DRAWBACKS OF MULLIKEN POPULATION ANALYSIS

The problem of negative electronic populations and of occupation numbers greater than 2 has plagued Mulliken Population Analysis since the very beginning. Through the analysis of three model molecular systems, several basis sets and the relevant literature, we conclude that there is not enough evide...

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Autor principal: GÓMEZ-JERIA,JUAN S
Lenguaje:English
Publicado: Sociedad Chilena de Química 2009
Acceso en línea:http://www.scielo.cl/scielo.php?script=sci_arttext&pid=S0717-97072009000400036
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