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Emergent Properties of an Organic Semiconductor Driven by its Molecular Chirality
(American Chemical Society, 2017)
Exchange-hole dipole dispersion model for accurate energy ranking in molecular crystal structure prediction II: Non-planar molecules
(American Chemical Society, 2017)
Thermodynamic cycles of the alkali metal-ligand complexes central to electride formation
(Royal Society of Chemistry, 2017)
The ionic versus metallic nature of 2D electrides: A density-functional description
(Royal Society of Chemistry, 2017)
DFT treatment of strong correlation in 3d transition-metal diatomics
(American Institute of Physics, 2017)
Interrogating the Becke’05 density functional for non-locality information
(American Institute of Physics, 2017)