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Level of Theory and Solvent Effects on DASA Absorption Properties Prediction: Comparing TD-DFT, CASPT2 and NEVPT2

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https://hal-upec-upem.archives-ouvertes.fr/hal-01772002
Contributor : Cristina Garcia Iriepa <>
Submitted on : Friday, April 20, 2018 - 10:06:10 AM
Last modification on : Thursday, March 19, 2020 - 11:52:04 AM

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Cristina Garcia-Iriepa, Marco Marazzi. Level of Theory and Solvent Effects on DASA Absorption Properties Prediction: Comparing TD-DFT, CASPT2 and NEVPT2. Materials, MDPI, 2017, 10 (9), ⟨10.3390/ma10091025⟩. ⟨hal-01772002⟩

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