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Now showing items 11-20 of 21
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)
A computational exploration of the crystal energy and charge carrier mobility landscapes of the chiral [6]helicene molecule
(Royal Society of Chemistry, 2018)
Density-functional description of alkalides: Introducing the alkalide state
(Royal Society of Chemistry, 2018)
The effect of electronic excitation on London dispersion
(NRC Research Press, 2018)
Correct charge transfer in CT complexes from the Becke’05 density functional
(American Institute of Physics, 2018)
Li Insertion in Ball Milled Si-Mn Alloys
(The Electrochemical Society, 2018-06-08)
Si1-xMnx (0 ≤ x ≤0.5, x=0.05)alloyswereprepared by ball milling and studied as negative electrode materials in Li cells. These alloys were found to be unique amongtransition metals. When x ≤ 0.35, the alloys are essentially ...