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.
COLUMBUS: Quantum Chemistry Without Constraints
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From radicals to Rydberg states: COLUMBUS is a veteran code that still does
what others can’t. In brief: If you’ve ever tried to model an excited
molecule ...
1 week ago
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