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Now showing items 1701-1710 of 1951
The exchange-hole dipole dispersion model for accurate energy ranking in molecular crystal structure prediction
(American Chemical Society, 2016)
Composite and Low-Cost Approaches for Molecular Crystal Structure Prediction
(American Chemical Society, 2018)
Quantitative electron delocalization in solids from maximally localized Wannier functions
(American Chemical Society, 2018)
Effect of the Metal Substrate on Interlayer Interactions in Bilayer Graphene
(American Chemical Society, 2018)
Pressure-Induced Isostructural Antiferromagnetic-Ferromagnetic Transition in an Organic Electride
(American Chemical Society, 2018)
Theoretical Descriptors of Electrides
(American Chemical Society, 2018)
Non-Covalent Interactions in Molecular Crystals: Exploring the Accuracy of the Exchange-Hole Dipole Moment Model with Local Orbitals
(American Chemical Society, 2018)
The explicit examination of the magnetic states of electrides
(Royal Society of Chemistry, 2016)