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American Chemical Society, Journal of Chemical Theory and Computation, 12(13), p. 6010-6022, 2017

DOI: 10.1021/acs.jctc.7b00621

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Grid-Based Projector Augmented Wave (GPAW) Implementation of Quantum Mechanics/Molecular Mechanics (QM/MM) Electrostatic Embedding and Application to a Solvated Diplatinum Complex

Journal article published in 2017 by A. O. Dohn ORCID, E. Ö. Jónsson, G. Levi, J. J. Mortensen, O. Lopez-Acevedo ORCID, K. S. Thygesen ORCID, K. W. Jacobsen, J. Ulstrup, N. E. Henriksen ORCID, K. B. Møller, H. Jónsson ORCID
This paper was not found in any repository; the policy of its publisher is unknown or unclear.
This paper was not found in any repository; the policy of its publisher is unknown or unclear.

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