Files for LAMMPS simulations (structure,input commands,forcefield parameters) and Vol-Temp analysis scripts for 4 methods. See README.txt within 'parameters' (LAMMPS), and 'scripts' folders (Analysis)
Energy profiles of dynamic processes in organolithium aggregates. Phenyllithium and methyllithium dimers dissociation. Descriptors of C-Li bond along the bond path for MeLin Descriptors of C-Li bond
