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Hydrogen bonding and Raman, IR, and 2D-IR spectroscopy of dilute HOD in liquid D(2)O
We present improvements on our previous approaches for calculating vibrational spectroscopy observables for the OH stretch region of dilute HOD in liquid D(2)O. These revised approaches are implemented to calculate IR and isotropic Raman spectra, using the SPC/E simulation model, and the results are...
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| Main Authors: | , , , |
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| Format: | Artigo |
| Sprog: | Inglês |
| Udgivet: |
National Academy of Sciences
2007
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| Fag: | |
| Online adgang: | https://ncbi.nlm.nih.gov/pmc/articles/PMC1964876/ https://ncbi.nlm.nih.gov/pubmed/17576923 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1073/pnas.0701482104 |
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