Atomic shell approximation

Tables of Atomic Densities

Tables of atomic densities from hydrogen to krypton build from simplified 1S Gaussian representations of the electron density are provided.

Tables of atomic densities from H to Kr

Desenvolupament computacional de la semblança molecular quàntica

The present Doctoral Thesis, entitled Computational Development of Quantum Molecular Similarity, fundamentally deals on the calculation of similarity measures arising from the comparison of electron density functions.

Toward a global maximization of the molecular similarity function: Superposition of two molecules