Grid-Based Projector Augmented Wave (GPAW) Implementation of Quantum Mechanics/Molecular Mechanics (QM/MM) Electrostatic Embedding and Application to a Solvated Diplatinum Complex
A. O. Dohn, E. O. Jónsson, G. Levi, J. J. Mortensen, O. Lopez-Acevedo, K. S. Thygesen, K. W. Jacobsen, J. Ulstrup, N. E. Henriksen, K. B. Møller, H. Jónsson
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