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Article on embedding schemes highlighted

By carlescurutchet on June 1, 2016December 2, 2021

Our recent article with the groups of Benedetta Mennucci and Claudia Filippi, which discusses different embedding schemes to compute solvatochromic shifts on the Green Fluorescent Protein (GFP), has catched the attention of Computational Chemistry Highlights (see this link). As the author of the post, Tobias Schwabe, nicely explains, the difference among state-specific and linear-response treatments of environment effects in excited states is not widely understood, and works like ours try to shed light on this issue, which has important consequences on the modelling of excited states in biosystems.

 

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