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A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu
National licenceAmerican Institute of Physics | 2010| -
Ab initio effective core potentials for molecular calculations. Potentials for main group elements Na to Bi
National licenceAmerican Institute of Physics | 1985| -
Gaussian basis sets for use in correlated molecular calculations. I. The atoms boron through neon and hydrogen
National licenceAmerican Institute of Physics | 1989| -
Self‐consistent molecular orbital methods. XXIII. A polarization‐type basis set for second‐row elements
National licenceAmerican Institute of Physics | 1982| -
Commentary: The Materials Project: A materials genome approach to accelerating materials innovation
Free accessAmerican Institute of Physics | 2013|
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