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Now showing items 11-15 of 15
Theoretical Investigation of Polymorph- and Coformer-Dependent Photoluminescence in Molecular Crystals
(Royal Society of Chemistry, 2021-05-18)
Improved Quantitative Crystal-Structure Comparison using Powder Diffractograms via Anisotropic Volume Correction
(Royal Society of Chemistry, 2021-09-17)
Theoretical Modeling of Structural Superlubricity in Rotated Bilayer Graphene, Hexagonal Boron Nitride, Molybdenum Disulfide, and Blue Phosphorene
(Royal Society of Chemistry, 2021-08-10)
A Density-Functional Benchmark of Vibrational Free-Energy Corrections for Molecular Crystal Polymorphism (Preprint)
(American Institute of Physics, 2022-03-15)