ions

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A python package for accessing various properties of elements, ions and isotopes in the periodic table of elements.

quantifying specific ion effects through charge transfer models

python dft ions charge-transfer

ion hopping mechanism for pdb and lammps trj

ionic simulation pdb molecular-dynamics molecular-dynamics-simulation ions lammps md

The pkaESSRIM program

ions simulations spectra neutrons recoil irradiation pka radiation-effects

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