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A comparative analysis by means of quantum molecular similarity measures of density distributions derived from conventional ab initio and density functional methods
Solà i Puig, Miquel; Mestres i López, Jordi; Carbó-Dorca, Ramon; Duran i Portas, Miquel
2011-03-29
Electrons--Distribució
Funcional de densitat, Teoria del
Molècules
Density functionals
Electron distribution
Molecules
Tots els drets reservats
Article
American Institute of Physics
         

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