In a significant development for clean energy, researchers at Universiti Teknologi MARA have made an advance in the field of ...
LJ and Coulomb parameters for adsorbate molecules and zeolites; bond length, angle bending, and dihedral rotation parameters for adsorbate molecules; conversion of a non-orthogonal primitive cell into ...
We specifically study the entanglement of common approximations in the treatment of solvation and field effects, as well as in the way macroscopic averages of the two key quantities, namely, the ...
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