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Quantum-Mechanical Calculations of Resonance Raman Intensities: The Weighted-Gradient Approximation
A framework of the weighted-gradient approach is developed for effective quantum-mechanical modeling of resonance Raman (RR) intensities with a view towards rationalizing enhancement patterns observed for histidine and tryptophan side chains. Unlike the single-state gradient approach, this new proce...
Αποθηκεύτηκε σε:
| Κύριος συγγραφέας: | |
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| Μορφή: | Artigo |
| Γλώσσα: | Inglês |
| Έκδοση: |
2009
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| Θέματα: | |
| Διαθέσιμο Online: | https://ncbi.nlm.nih.gov/pmc/articles/PMC2712662/ https://ncbi.nlm.nih.gov/pubmed/19260673 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/jp8095715 |
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