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Nuclear orbitals as isosurfaces of the total densities with a cutoff of 0.0001 calculated with NEO-HF in the dscf program using the def2-TZVP basis for electrons and DZSPDN348 for protons. White, classical proton; pink, center for basis set of a quantum proton; red, oxygen; and blue, nitrogen. (a) trans-Zundel isomer of H9O4+, (b) neutral glycine, and (c) zwitterionic glycine.
