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  2. Barcelona Supercomputing Center

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    • ROOT
      • Chloroform
        • mPW1PW91_6-31+G(d,p)
      • Other_trials
        • Figure_S11
        • Figure_S9
      • Theozyme
      • Water
        • B3LYP-D3(BJ)_6-311+Gdp_mPW1P9W1_6-31+G(d,p)
        • B3LYP-D3(BJ)_6311+G(d,p)
        • M06-2X_6-311+G(d,p)__mPW1PW91_6-31+G(d,p)
        • mPW1PW91_6-31+G(d,p)
        • mPW1PW91_6-311+G(d,p)__mPW1PW91_6-31+G(d,p)

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