Visualitzant per autor "Fradera i Llinàs, Xavier"
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Practical applications of quantum molecular similarity measures (QMSM): programs and examples

Practical applications of quantum molecular similarity measures (QMSM): programs and examples

Sobre els mapes de semblança quàntica molecular

Sobre els mapes de semblança quàntica molecular

The relevance of the Laplacian of intracule and extracule density distributions for analyzing electron-electron interactions in molecules

The mapping of the local contributions of Fermi and Coulomb correlation into intracule and extracule density distributions

Effect of basis set superposition error on the electron density of molecular complexes

A chemical Hamiltonian approach study of the basis set superposition error changes on electron densities and one- and two-center energy components