Accurate yet feasible computations of resonance Raman spectra for metal complexes in solution: [Ru(bpy)3](2+) as a case study

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The Virtual Multifrequency Spectrometer: a new paradigm for spectroscopy.General formulation of vibronic spectroscopy in internal coordinates.

P2860

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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

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Accurate yet feasible computat ...... tal complexes in solution: [Ru

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Accurate yet feasible computat ...... [Ru(bpy)3](2+) as a case study

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Accurate yet feasible computat ...... tal complexes in solution: [Ru

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Accurate yet feasible computat ...... [Ru(bpy)3](2+) as a case study

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Accurate yet feasible computat ...... tal complexes in solution: [Ru

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Accurate yet feasible computat ...... [Ru(bpy)3](2+) as a case study

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P1476

Accurate yet feasible computat ...... [Ru(bpy)3](2+) as a case study

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P2093

Alberto Baiardi

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Camille Latouche

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Julien Bloino

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P2860

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Computational Spectroscopy of Large Systems in Solution: The DFTB/PCM and TD-DFTB/PCM Approach.

A robust and effective time-independent route to the calculation of Resonance Raman spectra of large molecules in condensed phases with the inclusion of Duschinsky, Herzberg-Teller, anharmonic, and environmental effects.

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17610-17614

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scholarly article

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10.1039/C4DT02151G

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English

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2014-12-01T00:00:00Z

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25207752

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4627507

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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

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P2860

P2860

Accurate yet feasible computations of resonance Raman spectra for metal complexes in solution: [Ru(bpy)3](2+) as a case study

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P1433

P1476

P2093

P2860

P304

P31

P356

P407

P433

P478

P50

P577

P698

P932

P356

P1433

P1476

P2093

P2860

P304

P31

P356

P407

P433

P478

P50

P577

P698

P932