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Completed
Solvatochromic molecules
FunderNetherlands Organisation for Scientific Research (NWO)
Duration10 Jun 2004 - 30 Nov 2005
Project codeSG-181-V-04181
Open Access mandatePublications: NoResearch data: No
Identifiers
Project timeline100%
Description
Computational methods for molecular excited states have recently become available which can take solvent effects into account in an accurate way. This is extremely important in relation to our experimental studies of the past 15 years on molecules which have strongly different interactions with the environment in ground and excited electronic states, which leads to a strong dependence of absorption and emission spectra on the solvent polarity. The pilot project serves to test the validity of these new computational models in gaussian03.
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Computational methods for molecular excited states have recently become available which can take solvent effects into account in an accurate way. This is extremely important in relation to our experimental studies of the past 15 years on molecules which have strongly different interactions with the environment in ground and excited electronic states, which leads to a strong dependence of absorption and emission spectra on the solvent polarity. The pilot project serves to test the validity of these new computational models in gaussian03.
