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Density‐functional thermochemistry. III. The role of exact exchange
National licenceAmerican Institute of Physics | 1993| -
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| -
Electron affinities of the first‐row atoms revisited. Systematic basis sets and wave functions
National licenceAmerican Institute of Physics | 1992| -
A Second Generation Force Field for the Simulation of Proteins, Nucleic Acids, and Organic Molecules
National licenceAmerican Chemical Society | 1995| -
Ab initio effective core potentials for molecular calculations. Potentials for K to Au including the outermost core orbitals
National licenceAmerican Institute of Physics | 1985| -
Band parameters for III–V compound semiconductors and their alloys
National licenceAmerican Institute of Physics | 2001| -
Gaussian‐Type Functions for Polyatomic Systems. I
National licenceAmerican Institute of Physics | 1965| -
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| -
Time‐of‐Flight Mass Spectrometer with Improved Resolution
National licenceAmerican Institute of Physics | 1955| -
Computed circular dichroism spectra for the evaluation of protein conformation
National licenceAmerican Chemical Society | 1969|
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