Determination of a solvent hydrogen-bond acidity scale by means of the solvatochromism of pyridinium-N-phenolate betaine dye 30 and PCM-TD-DFT calculations.
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0-0 Energies Using Hybrid Schemes: Benchmarks of TD-DFT, CIS(D), ADC(2), CC2, and BSE/GW formalisms for 80 Real-Life CompoundsExploring the Solvatochromism of Betaine 30 with Ab Initio Tools: From Accurate Gas-Phase Calculations to Implicit and Explicit Solvation Models.Modification of the Onsager Reaction Field and Its Application on Spectral Parameters.A Monte Carlo-quantum mechanics study of a solvatochromic π* probe.
P2860
Determination of a solvent hydrogen-bond acidity scale by means of the solvatochromism of pyridinium-N-phenolate betaine dye 30 and PCM-TD-DFT calculations.
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name
Determination of a solvent hyd ...... 0 and PCM-TD-DFT calculations.
@en
Determination of a solvent hyd ...... 0 and PCM-TD-DFT calculations.
@nl
type
label
Determination of a solvent hyd ...... 0 and PCM-TD-DFT calculations.
@en
Determination of a solvent hyd ...... 0 and PCM-TD-DFT calculations.
@nl
prefLabel
Determination of a solvent hyd ...... 0 and PCM-TD-DFT calculations.
@en
Determination of a solvent hyd ...... 0 and PCM-TD-DFT calculations.
@nl
P2093
P356
P1476
Determination of a solvent hyd ...... 0 and PCM-TD-DFT calculations.
@en
P2093
Aurélien Planchat
Christian Laurence
Christian Reichardt
Khadija Sraïdi
P304
P356
10.1021/JP501534N
P407
P577
2014-04-17T00:00:00Z