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Polarizable Empirical Force Field for Hexopyranose Monosaccharides Based on the Classical Drude Oscillator
[Image: see text] A polarizable empirical force field based on the classical Drude oscillator is presented for the hexopyranose form of selected monosaccharides. Parameter optimization targeted quantum mechanical (QM) dipole moments, solute–water interaction energies, vibrational frequencies, and co...
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| मुख्य लेखकों: | , , |
|---|---|
| स्वरूप: | Artigo |
| भाषा: | Inglês |
| प्रकाशित: |
American Chemical
Society
2014
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| ऑनलाइन पहुंच: | https://ncbi.nlm.nih.gov/pmc/articles/PMC4143499/ https://ncbi.nlm.nih.gov/pubmed/24564643 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/jp412696m |
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