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Non-Covalent Potential Energy Terms Lennard-Jones potential Non-covalent U vdw +U elec B vdw accurate approximate q91 Coulombs law i>J yNon-Covalent Potential Energy Terms UNon -covalent = UvdW +U elec Lennard-Jones potential 12 ij ij r B 6 ij ij r C − ⎛ Bij U vdW = ∑⎜ 12 − Cij ⎞⎟ i; j ⎝ rij rij 6 ⎠ “accurate” approximate qi q j U elec = ∑ Coulomb’s law i ; j εrij
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