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Quantum mechanical force field for water with explicit electronic polarization
A quantum mechanical force field (QMFF) for water is described. Unlike traditional approaches that use quantum mechanical results and experimental data to parameterize empirical potential energy functions, the present QMFF uses a quantum mechanical framework to represent intramolecular and intermole...
Tallennettuna:
| Päätekijät: | , , , , |
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| Aineistotyyppi: | Artigo |
| Kieli: | Inglês |
| Julkaistu: |
AIP Publishing LLC
2013
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| Aiheet: | |
| Linkit: | https://ncbi.nlm.nih.gov/pmc/articles/PMC3747793/ https://ncbi.nlm.nih.gov/pubmed/23927266 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1063/1.4816280 |
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