-
Replication Data for First-principles Simulations of the Fluorescence Modulat...
This dataset contains simulation results and analyses related to the fluorescence modulation of a COX-2 specific fluorogenic probe. METHODOLOGICAL INFORMATION (1) Description of... -
3D ordering at the liquid–solid polar interface of nanowires
The nature of the liquid–solid interface determines the characteristics of a variety of physical phenomena, including catalysis, electrochemistry, lubrication, and crystal... -
Insights into water permeation through hBN nanocapillaries by ab initio machi...
Water permeation between stacked layers of hBN sheets forming 2D nanochannels is investigated using large-scale ab initio-quality molecular dynamics simulations. A...