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1. Tuaimenal A, a Meroterpene from the Irish Deep-Sea Soft Coral Duva florida, Displays Inhibition of the SARS-CoV-2 3CLpro Enzyme.

2. Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package

3. Advances in molecular quantum chemistry contained in the Q-Chem 4 program package

4. Interfacing Q-chem and CHARMM to perform QM/MM reaction path calculations

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