Admittedly, we are not the only people working on Dimethylaminobenzonitrile (DMABN) and its dual fluoresence. But it is an interesting system worth looking at. Our paper about this topic "Intramolecular Charge Transfer Excited State Processes in 4-(N,N-Dimethylamino)benzonitrile: The Role of Twisting and the πσ* State" is finally released after starting this project about four years ago. Check it out if you are interested.
Boosting Molecular Dynamics with Socket-Based Communication
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MD simulations can be 10x faster by replacing files with socket
communication. In brief: Our latest publication in the Journal of Physical
Chemistry Letter...
2 days ago
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