QTCOVI – Theoretical and Computational Chemistry
QTCOVI – Theoretical and Computational Chemistry
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M.A. Blanco
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Critic: a new program for the topological analysis of solid-state electron densities
EDF: Computing electron number probability distribution functions in real space from molecular wave functions
Electron–electron interactions between ELF basins
Spatial localization, correlation, and statistical dependence of electrons in atomic domains: The and states of H2
Reply to comments of Bader on the simplified variational derivation for quantum atoms in molecules
Revisiting the variational nature of the quantum theory of atoms in molecules
GIBBS: isothermal-isobaric thermodynamics of solids from energy curves using a quasi-harmonic Debye model
Atomistic simulation of the pressure-temperature-volume diagram in α-Al2O3
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