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Molecular dynamics simulations of elementary chemical processes in liquid water using combined density functional and molecular mechanics potentials. I. Proton transfer in strongly H-bonded complexes 343

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Molecular dynamics simulations of elementary chemical processes in liquid water using combined density functional and molecular mechanics potentials. I. Proton transfer in strongly H-bonded complexes 2 5 4 4 1 2

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59. Journal of Chemical Physics, 106 (1997) Tuñón.pdf 400

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