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Accurate yet Feasible Computations of Resonance Raman Spectra for Metal Complexes in Solution: [Ru(bpy)(3)](2+) as a Case Study
Herein we present a new and promising approach for the high-resolution modeling of vibrational Resonance Raman spectra of metal complexes in solution. The model explicitly includes Duschinsky couplings, solvent effects, and anharmonic corrections in a computational tool able to treat large molecular...
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| izdano v: | Dalton Trans |
|---|---|
| Main Authors: | , , , |
| Format: | Artigo |
| Jezik: | Inglês |
| Izdano: |
2014
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| Teme: | |
| Online dostop: | https://ncbi.nlm.nih.gov/pmc/articles/PMC4627507/ https://ncbi.nlm.nih.gov/pubmed/25207752 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1039/c4dt02151g |
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