On the performance of quantum chemical methods to predict solvatochromic effects: The case of acrolein in aqueous solution-Reference-Cited by-同舟云学术

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On the performance of quantum chemical methods to predict solvatochromic effects: The case of acrolein in aqueous solution

Published:2008-05-21 Issue:19 Volume:128 Page:194503
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:The Journal of Chemical Physics

Author:

Aidas Kestutis,Møgelhøj Andreas,Nilsson Elna J. K.,Johnson Matthew S.,Mikkelsen Kurt V.,Christiansen Ove,Söderhjelm Pär,Kongsted Jacob

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://aip.scitation.org/doi/pdf/10.1063/1.2918537

Reference88 articles.

1. Theory of Solvent Effects on Molecular Electronic Spectra. Frequency Shifts

2. How to Model Solvent Effects on Molecular Properties Using Quantum Chemistry? Insights from Polarizable Discrete or Continuum Solvation Models

3. Theoretical modeling of spectroscopic properties of molecules in solution: toward an effective dynamical discrete/continuum approach

4. Coupled Cluster Calculation of the n → π* Electronic Transition of Acetone in Aqueous Solution

5. Integrated computational strategies for UV/vis spectra of large molecules in solution

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