Grid-Based Projector Augmented Wave (GPAW) Implementation of Quantum Mechanics/Molecular Mechanics (QM/MM) Electrostatic Embedding and Application to a Solvated Diplatinum Complex
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| Description | scientific article published on 30 October 2017 |
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author: Karsten W Jacobsen Niels E Henriksen Hannes Jónsson Kristian Sommer Thygesen Asmus Ougaard Dohn Olga Lopez-Acevedo Klaus B Møller Jens Ulstrup |
| Publication date | October 30, 2017 |
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