Table I lists the names of the 309 chemicals selected from the data set of 425 chemicals in Kusk et al. [2], along with the SMILES strings used to calculate their physicochemical properties (log P<
Carvacrol classical MD simulation set and full trajectories. Want collaborating on this dataset? Give a call at vvchaban@gmail.com. April 1, 2025: added simulations at additional temperature
This data product contains quality-controlled, native sampling resolution taxonomic, physical, and chemical data from soils measured during the course of an initial soil characterization effort at eac
A model for calculating the heat capacity of complex aqueous solutions with an arbitrary number of solutes and at an arbitrary temperature was developed. Parameters for 79 solutes were established bas
